SCHEMBL10900699

SCHEMBL10900699

CCCCCCCCCCCCCCCCC(c1ccc(C(=O)O)cc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.53
▸ OPRM1 P35372 8/20 0.49
▸ OPRK1 P41145 5/20 0.49
▸ OPRL1 P41146 4/20 0.49
▸ SLC6A4 P31645 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ HRH3 Q9Y5N1 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
SCHEMBL10901585 0.87 OPRD1 (0.57) OPRD1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL13529192 0.81 OPRD1 (0.48) OPRD1OPRM1OPRK1OPRL1HRH3
SCHEMBL10903271 0.78 OPRD1 (0.57) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL11620858 0.77 HRH3 (0.53) OPRD1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL13974437 0.76 HRH3 (0.51) OPRD1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL2231026 0.75 TP53 (0.56) —
SCHEMBL11590735 0.75 TP53 (0.56) —
SCHEMBL25168550 0.74 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL25168549 0.74 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL8012446 0.73 TP53 (0.54) —

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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