SCHEMBL20779646

SCHEMBL20779646

CSc1ccc(NC2CCCCC2)c(-c2noc(C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.44
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL20779762 0.90 OPRK1 (0.43) OPRK1POLBRXFP1
SCHEMBL20766548 0.80 BRD4 (0.49) OPRK1POLBRXFP1
SCHEMBL20766476 0.78 PTGS2 (0.42) OPRK1POLBRXFP1
SCHEMBL30410749 0.78 PTGS2 (0.42) OPRK1POLBRXFP1
SCHEMBL20779695 0.74 OPRK1 (0.46) OPRK1
SCHEMBL20779645 0.71 IRAK1 (0.41)
SCHEMBL20779658 0.71 AXL (0.49)
SCHEMBL20384219 0.70 ALDH1A1 (0.43)
SCHEMBL20779889 0.70 OPRK1 (0.35) OPRK1
SCHEMBL19931287 0.70 SMN1; SMN2 (0.34)

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-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed