SCHEMBL9053532

SCHEMBL9053532

O=C(CCc1cccnc1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.57
▸ C3AR1 Q16581 4/20 0.55
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ PTGER2 P43116 4/20 0.47
▸ GRM5 P41594 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42

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
SCHEMBL9275201 0.97 PTGER1 (0.55) PTGER1C3AR1MEN1KMT2AALDH1A1
SCHEMBL9275455 0.91 FNTA (0.52) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275910 0.90 PTGER1 (0.69) PTGER1C3AR1MEN1KMT2AALDH1A1
SCHEMBL9053229 0.84 PKM (0.53) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275934 0.83 PTGER1 (0.61) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9269919 0.81 PTGER1 (0.51) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9269394 0.81 PTGER1 (0.61) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9277986 0.81 PTGER1 (0.59) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275435 0.81 PTGER1 (0.66) PTGER1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9273093 0.81 AVPR1A (0.57) PTGER1MEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 — — EP claimed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 — — WO claimed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 — — US disclosed
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