SCHEMBL10899180

SCHEMBL10899180

COC(=O)c1ccc(C(Cc2ccc(Cl)cc2)N2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.56
▸ OPRM1 P35372 1/20 0.49
▸ SLC6A4 P31645 7/20 0.49
▸ SLC6A2 P23975 4/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ THRB P10828 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP19A1 P11511 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
SCHEMBL10901072 0.83 OPRD1 (0.79) OPRD1OPRM1CYP2D6CYP19A1
SCHEMBL28002324 0.80 SLC6A4 (0.58) SLC6A4SLC6A2TP53ALDH1A1GLA
SCHEMBL10900898 0.80 OPRD1 (0.59) OPRD1OPRM1SLC6A4SLC6A2LMNA
SCHEMBL10900427 0.79 OPRD1 (0.57) OPRD1OPRM1SLC6A4SLC6A2LMNA
SCHEMBL10900950 0.79 OPRD1 (0.60) OPRD1OPRM1SLC6A4SLC6A2LMNA
SCHEMBL27687834 0.78 SLC6A4 (0.80) SLC6A4SLC6A2CYP2D6
SCHEMBL27363846 0.78 SLC6A4 (0.80) SLC6A4SLC6A2CYP2D6
SCHEMBL25212922 0.76 RAB9A (0.52) ALDH1A1KMT2AGAAMAPTHPGD
SCHEMBL10901585 0.76 OPRD1 (0.57) OPRD1OPRM1SLC6A4SLC6A2TP53
SCHEMBL1978575 0.75 OPRD1 (0.69) OPRD1OPRM1SLC6A4SLC6A2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
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