SCHEMBL9272643

SCHEMBL9272643

O=C(c1ccncc1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PTGER2 P43116 4/20 0.48
▸ AKR1C3 P42330 1/20 0.44
▸ AVPR1A P37288 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
SCHEMBL9053229 0.91 PKM (0.53) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9269394 0.87 PTGER1 (0.61) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275934 0.87 PTGER1 (0.61) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275910 0.86 PTGER1 (0.69) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9277986 0.85 PTGER1 (0.59) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275435 0.85 PTGER1 (0.66) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9272363 0.85 MAPT (0.47) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9176184 0.84 PTGER1 (0.57) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275413 0.83 ALDH1A1 (0.56) PTGER1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9269930 0.83 LMNA (0.46) 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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