SCHEMBL10369009

SCHEMBL10369009

CN1CCC(Oc2cc3ccccc3cc2C(N)=O)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.55
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL10370253 0.90 ALDH1A1 (0.52) CHRM4CHRM5CHRM1CHRM3ALDH1A1
Oxalic Acid SCHEMBL10672874 0.87 KDM4E (0.50) CHRM4CHRM5CHRM1CHRM3ALDH1A1
Oxalic Acid SCHEMBL10372028 0.87 KDM4E (0.50) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL10568167 0.86 IKBKB (0.54) IRAK4CHEK2
SCHEMBL10370921 0.85 KCNH2 (0.52) IRAK4CHRM4CHRM5CHRM1CHRM3
SCHEMBL10368953 0.82 HTR2C (0.46) CHEK2ALDH1A1HTR2CHTR2B
SCHEMBL10565941 0.81 HTR2C (0.51) CHRM4CHRM5CHRM1CHRM3CHEK2
SCHEMBL10372500 0.81 HTR2C (0.55) CHEK2ALDH1A1NOS3NOS1NOS2
SCHEMBL10370147 0.81 L3MBTL1 (0.45) CHRM4CHRM5CHRM1CHRM3CHEK2
Water SCHEMBL10565091 0.80 HTR2C (0.54) CHEK2ALDH1A1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 — — EP claimed
EP-0107930-A2 Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1984-05-09 — — EP claimed
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 — — 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
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 — — US 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-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-0107930-A2 Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1984-05-09 — — EP disclosed
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