SCHEMBL9275413

SCHEMBL9275413

O=C(c1ccco1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PTGER1 P34995 5/20 0.53
▸ PTGER2 P43116 4/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 1/20 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
SCHEMBL9273093 0.84 AVPR1A (0.57) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9277277 0.84 PTGER1 (0.60) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9272643 0.83 PTGER1 (0.57) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9273057 0.82 MEN1 (0.57) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9273084 0.82 PTGER1 (0.55) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9275801 0.81 MEN1 (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9275447 0.81 MAPT (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9277326 0.81 MAPT (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9270277 0.81 KMT2A (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL9053229 0.80 PKM (0.53) ALDH1A1MAPTCYP2C19KMT2AMEN1

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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