SCHEMBL9053229

SCHEMBL9053229

O=C(c1cccnc1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ PTGER1 P34995 6/20 0.49
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL9272643 0.91 PTGER1 (0.57) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9275455 0.85 FNTA (0.52) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9053532 0.84 PTGER1 (0.57) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9272363 0.83 MAPT (0.47) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9275201 0.82 PTGER1 (0.55) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9269930 0.81 LMNA (0.46) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9269394 0.80 PTGER1 (0.61) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9275934 0.80 PTGER1 (0.61) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9275413 0.80 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9273488 0.80 MAPT (0.47) MEN1MAPTKMT2AALDH1A1CYP1A2

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 4 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
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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