SCHEMBL9275455

SCHEMBL9275455

O=C(Cc1cccnc1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.52
▸ FNTB P49356 12/20 0.52
▸ PTGER1 P34995 4/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PTGER2 P43116 1/20 0.47
▸ GRM5 P41594 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
SCHEMBL9053532 0.91 PTGER1 (0.57) FNTAFNTBPTGER1MEN1ALDH1A1
SCHEMBL9275934 0.90 PTGER1 (0.61) FNTAFNTBPTGER1MEN1ALDH1A1
SCHEMBL9275201 0.89 PTGER1 (0.55) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9277986 0.88 PTGER1 (0.59) FNTAFNTBPTGER1MEN1ALDH1A1
SCHEMBL9053229 0.85 PKM (0.53) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275910 0.83 PTGER1 (0.69) FNTAFNTBPTGER1MEN1ALDH1A1
SCHEMBL9269394 0.83 PTGER1 (0.61) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9273093 0.82 AVPR1A (0.57) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9272643 0.81 PTGER1 (0.57) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9159250 0.81 PTGER1 (0.61) PTGER1MEN1ALDH1A1CYP1A2CYP3A4

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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