SCHEMBL9269848

SCHEMBL9269848

O=C(N1CCN(c2ccccn2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.60
▸ ALDH1A1 P00352 8/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGER1 P34995 3/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ GAA P10253 1/20 0.50
▸ PTGER2 P43116 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ LMNA P02545 2/20 0.48

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
SCHEMBL9273057 0.85 MEN1 (0.57) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9272643 0.82 PTGER1 (0.57) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL9273488 0.81 MAPT (0.47) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL9275801 0.81 MEN1 (0.59) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL9272897 0.81 MAPT (0.47) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL9275447 0.80 MAPT (0.59) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL9270277 0.80 KMT2A (0.59) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL9277326 0.80 MAPT (0.59) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9275934 0.80 PTGER1 (0.61) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9269394 0.80 PTGER1 (0.61) AVPR1AALDH1A1CYP1A2CYP2C19CYP3A4

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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