SCHEMBL10898495

SCHEMBL10898495

COC(=O)c1ccc(C(CC(C)Oc2ccccc2)N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.61
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ SLC6A4 P31645 6/20 0.45
▸ SLC6A2 P23975 5/20 0.45
▸ KCNH2 Q12809 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL10900950 0.83 OPRD1 (0.60) OPRD1ROCK2ROCK1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL6790513 0.76 OPRD1 (0.97) OPRD1OPRM1
SCHEMBL1978575 0.75 OPRD1 (0.69) OPRD1SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL26199219 0.75 OPRD1 (0.69) OPRD1SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL8029903 0.75 SLC6A4 (0.53) SLC6A4SLC6A2KCNH2CYP2D6HTR7
SCHEMBL10901585 0.73 OPRD1 (0.57) OPRD1SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL10899180 0.73 OPRD1 (0.56) OPRD1SLC6A4SLC6A2OPRM1CYP2D6
SCHEMBL10903271 0.72 OPRD1 (0.57) OPRD1SLC6A4SLC6A2KCNH2OPRM1
SCHEMBL10901786 0.71 OPRD1 (0.67) OPRD1OPRM1RAB9A
Hydrochloric Acid SCHEMBL28584197 0.71 OPRD1 (0.56) OPRD1ROCK2ROCK1SLC6A4SLC6A2

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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