SCHEMBL8097375

SCHEMBL8097375

N#CC1(c2ccccc2)CC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL13887044 0.85 MEN1 (0.46) OPRL1CA12CA1CA2CA9
SCHEMBL8007497 0.85 OPRD1 (0.43) OPRL1CA12CA1CA2CA9
SCHEMBL11703497 0.83 MEN1 (0.43) OPRL1CA12CA1CA2CA9
SCHEMBL25382786 0.81 WDR5 (0.35) OPRL1OPRM1
SCHEMBL12020612 0.81 OPRM1 (0.50) OPRL1OPRM1KMT2AMAOBMAOA
SCHEMBL1557855 0.81 MAOB (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAOB
SCHEMBL17985304 0.81 MAOB (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAOB
SCHEMBL1003372 0.81 OPRM1 (0.50) OPRL1OPRM1KMT2AMAOBMAOA
SCHEMBL1558649 0.81 MEN1 (0.51) OPRL1CA12CA1CA2CA9
SCHEMBL1558648 0.81 MEN1 (0.51) OPRL1CA12CA1CA2CA9

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-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed