SCHEMBL9273093

SCHEMBL9273093

O=C(N1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.57
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PTGER1 P34995 7/20 0.53
▸ PTGER2 P43116 4/20 0.52
▸ ATM Q13315 1/20 0.47
▸ DRD4 P21917 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ AKR1C3 P42330 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
SCHEMBL9269394 0.92 PTGER1 (0.61) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9273084 0.91 PTGER1 (0.55) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9270524 0.91 KMT2A (0.52) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9269901 0.90 MEN1 (0.52) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9275447 0.89 MAPT (0.59) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9275409 0.88 PTGER1 (0.52) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9269912 0.88 MEN1 (0.51) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9277277 0.88 PTGER1 (0.60) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9267150 0.87 MAPT (0.51) AVPR1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9272921 0.87 PTGER1 (0.57) AVPR1AKMT2AMEN1ALDH1A1CYP1A2

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-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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