SCHEMBL433777

SCHEMBL433777

CS(=O)(=O)Nc1cc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 6/20 0.39
SCN5A Q14524 6/20 0.39
SCN8A Q9UQD0 6/20 0.39
OPRK1 P41145 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
CYP2D6 P10635 2/20 0.37
GPR88 Q9GZN0 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL10083324 1.00 SCN1A (0.39) SCN1ASCN5ASCN8AOPRK1OPRM1
SCHEMBL15385518 0.90 OPRK1 (0.39) OPRK1OPRM1OPRD1CYP2D6GPR88
SCHEMBL434123 0.90 OPRK1 (0.39) OPRK1OPRM1OPRD1CYP2D6GPR88
SCHEMBL10083360 0.89 OPRK1 (0.40) SCN1ASCN5ASCN8AOPRK1OPRM1
SCHEMBL15380713 0.89 OPRK1 (0.40) SCN1ASCN5ASCN8AOPRK1OPRM1
SCHEMBL15386626 0.88 OPRK1 (0.39) OPRK1OPRM1OPRD1CYP2D6GPR88
SCHEMBL432530 0.88 OPRK1 (0.39) OPRK1OPRM1OPRD1CYP2D6GPR88
SCHEMBL15385528 0.88 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL431742 0.88 ROCK2 (0.44) OPRK1OPRM1OPRD1GPR88ROCK2
SCHEMBL15385516 0.88 ROCK2 (0.44) OPRK1OPRM1OPRD1GPR88ROCK2

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
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO disclosed