SCHEMBL9275901

SCHEMBL9275901

CC(C)(C)OC(=O)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PTGER1 P34995 8/20 0.51
▸ PTGER2 P43116 4/20 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
SCHEMBL9074132 0.89 MEN1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9272255 0.85 PTGER1 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9275447 0.83 MAPT (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9277326 0.83 MAPT (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9270277 0.83 KMT2A (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9273057 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9275801 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9272921 0.81 PTGER1 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9273093 0.80 AVPR1A (0.57) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9049054 0.80 PTGER1 (0.55) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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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