SCHEMBL9257480

SCHEMBL9257480

Fc1ccc(C(c2ccc(F)cc2)C2CC[N]CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.34
CHRM1 P11229 5/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
DRD3 P35462 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2C P28335 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9253016 0.93 MRGPRX1 (0.40)
SCHEMBL9256103 0.80 CHRNA7 (0.34) CHRM1CHRM2
SCHEMBL9253640 0.80 SLC6A4 (0.40) SLC6A3CHRM1SLC6A2SLC6A4TSHR
SCHEMBL4674804 0.79 IDO1 (0.39) IDO1
SCHEMBL7319671 0.76 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL9257882 0.76 ALDH1A1 (0.41) SLC6A3CHRM1SLC6A2SLC6A4TSHR
Hydrochloric Acid SCHEMBL9768345 0.74 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL7433281 0.74 CYP19A1 (0.47)
SCHEMBL9668878 0.74 OPRD1 (0.40)
SCHEMBL9253506 0.74 IDO1 (0.41) SLC6A3CHRM1SLC6A2SLC6A4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP claimed
EP-0299663-A2 Antihistaminic aromatic tetrahydroazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1989-01-18 EP claimed
US-4783535-A Chemical intermediates in the preparation of aromatic-1,4-oxazepinones and thiones A. H. ROBINS COMPANY, INCORPORATED (US) 1988-11-08 US claimed
US-4746657-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1988-05-24 US claimed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 US claimed
US-4610819-A Process for the preparation of aromatic-1,4-oxazepinones and thiones A. H. ROBINS COMPANY, INC. (US) 1986-09-09 US claimed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 US claimed
EP-0175570-A2 Process for the preparation of aromatic-1,4-oxazepinones and thiones A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1986-03-26 EP claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0299663-A2 Antihistaminic aromatic tetrahydroazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1989-01-18 EP disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4610819-A Process for the preparation of aromatic-1,4-oxazepinones and thiones A. H. ROBINS COMPANY, INC. (US) 1986-09-09 US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0175570-A2 Process for the preparation of aromatic-1,4-oxazepinones and thiones A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1986-03-26 EP disclosed