SCHEMBL9267150

SCHEMBL9267150

O=C(N1CCN(CCNCc2ccccc2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGER1 P34995 7/20 0.49
▸ PTGER2 P43116 4/20 0.48
▸ AVPR1A P37288 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.41

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
SCHEMBL9273084 0.88 PTGER1 (0.55) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9273093 0.87 AVPR1A (0.57) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275409 0.85 PTGER1 (0.52) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9272921 0.84 PTGER1 (0.57) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9049054 0.83 PTGER1 (0.55) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275447 0.82 MAPT (0.59) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275435 0.81 PTGER1 (0.66) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9050995 0.81 PTGER1 (0.54) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9269394 0.80 PTGER1 (0.61) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9278010 0.80 MEN1 (0.53) MAPTMEN1ALDH1A1CYP1A2CYP3A4

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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