SCHEMBL9253640

SCHEMBL9253640

Clc1ccc(C(c2ccc(Cl)cc2)C2CC[N]CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
ADRB2 P07550 1/20 0.39
CYP19A1 P11511 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
AKT1 P31749 1/20 0.34
CHRM1 P11229 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
SCHEMBL9253506 0.93 IDO1 (0.41) SLC6A4SLC6A2SLC6A3SMN1; SMN2TSHR
SCHEMBL11231139 0.85 ADRB2 (0.46) SLC6A4SLC6A2SLC6A3ADRB2CYP19A1
SCHEMBL9256103 0.80 CHRNA7 (0.34) CYP19A1TDP1MGLLCHRM1
SCHEMBL9257480 0.80 SLC6A3 (0.34) SLC6A4SLC6A2SLC6A3TSHRCHRM1
SCHEMBL4674804 0.79 IDO1 (0.39) CYP19A1GAAMGLL
SCHEMBL10528661 0.79 SLC6A3 (0.54) SLC6A4SLC6A2SLC6A3ADRB2HPGD
SCHEMBL10460532 0.76 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP19A1
SCHEMBL9257882 0.76 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3GAATSHR
SCHEMBL9668878 0.74 OPRD1 (0.40) GAASMN1; SMN2MGLLLMNA
SCHEMBL9253016 0.74 MRGPRX1 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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