SCHEMBL8104825

SCHEMBL8104825

CC1(C)CC(C#N)(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
OPRL1 P41146 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8007148 0.81 OPRM1 (0.38) OPRM1OPRD1CA12CA1CA2
SCHEMBL10242347 0.80 OPRM1 (0.38) OPRM1
SCHEMBL8007497 0.79 OPRD1 (0.43) OPRM1OPRD1CA12CA1CA2
SCHEMBL13163320 0.79 OPRM1 (0.41) OPRM1OPRD1CA12CA1CA2
SCHEMBL8097369 0.79 OPRM1 (0.45) OPRM1OPRD1CA12CA1CA2
SCHEMBL31507302 0.78 KMT2A (0.38) OPRM1KMT2AALDH1A1
SCHEMBL432561 0.78 OPRM1 (0.59) OPRM1OPRD1CA12CA1CA2
SCHEMBL21874062 0.77 ALDH1A1 (0.47) OPRM1CA12CA1CA2CA9
SCHEMBL3281976 0.75 OPRM1 (0.53) OPRM1OPRD1CA12CA1CA2
SCHEMBL3888335 0.75 OPRM1 (0.53) OPRM1OPRD1CA12CA1CA2

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