SCHEMBL10900950

SCHEMBL10900950

COC(=O)c1ccc(C(CC(C)O)N2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.60
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL10903271 0.86 OPRD1 (0.57) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL10898495 0.83 OPRD1 (0.61) OPRD1ROCK2ROCK1OPRM1SLC6A2
SCHEMBL1978575 0.81 OPRD1 (0.69) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL26199219 0.81 OPRD1 (0.69) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL10901585 0.80 OPRD1 (0.57) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL10899180 0.79 OPRD1 (0.56) OPRD1OPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL10900427 0.75 OPRD1 (0.57) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL10901072 0.74 OPRD1 (0.79) OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL6790513 0.74 OPRD1 (0.97) OPRD1OPRM1
Hydrochloric Acid SCHEMBL10901949 0.74 OPRD1 (0.59) OPRD1OPRM1SLC6A2SLC6A4SLC6A3

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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