SCHEMBL2439485

SCHEMBL2439485

CCC(C)c1nc(-c2ccccc2)c(-c2ccc(CN3CCC(N4C(=O)[N]c5ccccc54)CC3)cc2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.50
AKT2 P31751 12/20 0.50
AKT3 Q9Y243 6/20 0.41
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL2439564 0.86 AKT1 (0.49) AKT1AKT2AKT3OPRM1OPRK1
SCHEMBL2435312 0.79 AKT1 (0.79) AKT1AKT2AKT3
SCHEMBL3979847 0.79 AKT1 (0.79) AKT1AKT2AKT3
SCHEMBL5480762 0.77 AKT1 (0.43) AKT1AKT2AKT3OPRM1OPRK1
SCHEMBL5261966 0.73 ALDH1A1 (0.59) AKT1AKT2AKT3
SCHEMBL5260840 0.73 AKT1 (0.68) AKT1AKT2AKT3DRD2DRD4
SCHEMBL5257804 0.69 AKT1 (0.56) AKT1AKT2AKT3DRD2DRD4
SCHEMBL7063258 0.67 CCR8 (0.52) OPRM1OPRK1OPRL1
SCHEMBL2441673 0.65 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL2437301 0.65 AKT1 (0.78) AKT1AKT2AKT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed