SCHEMBL8639468

SCHEMBL8639468

CC(C#N)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.56
OPRM1 P35372 3/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
CCR1 P32246 13/20 0.52
CCR3 P51677 1/20 0.47

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
SCHEMBL5962422 0.83 OPRM1 (0.63) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL3591425 0.74 CCR3 (0.57) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL7330890 0.71 CYP2D6 (0.77) OPRL1OPRM1OPRD1OPRK1
SCHEMBL7330874 0.71 CYP2D6 (0.77) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15543779 0.71 MAPT (0.55) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL5518359 0.71 CCR3 (0.54) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL29090112 0.71 DRD2 (0.72) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL3591423 0.71 CCR3 (0.57) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL11205205 0.71 CCR3 (0.57) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL21077853 0.71 CCR3 (0.57) OPRL1OPRM1OPRD1OPRK1CCR3

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-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed