SCHEMBL7849288

SCHEMBL7849288

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.76
OPRK1 P41145 1/20 0.73
OPRL1 P41146 1/20 0.73
AKT1 P31749 4/20 0.65
AKT2 P31751 2/20 0.65
AKT3 Q9Y243 1/20 0.64
CYP3A4 P08684 1/20 0.62
CHRM1 P11229 1/20 0.60
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.59

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
SCHEMBL3665096 0.85 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL20763210 0.83 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL13869133 0.81 AKT1 (0.80) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL8863557 0.81 OPRM1 (0.91) OPRM1OPRK1OPRL1AKT1AKT2
Oxalic Acid SCHEMBL5778025 0.81 OPRM1 (0.91) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL7849321 0.81 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL5774325 0.81 OPRM1 (0.78) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL12375874 0.81 OPRM1 (0.77) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL1436457 0.80 OPRM1 (0.79) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL8863350 0.79 OPRM1 (0.71) OPRM1OPRK1OPRL1CYP3A4CHRM1

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
EP-1142587-A1 REMEDIES FOR PAIN MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed