SCHEMBL22853494

SCHEMBL22853494

COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2OC)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.48
▸ SCN8A Q9UQD0 5/20 0.47
▸ SCN10A Q9Y5Y9 5/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ GPR6 P46095 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ NCS1 P62166 1/20 0.41

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
SCHEMBL30294649 1.00 RXFP1 (0.48) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL29382977 0.91 SCN8A (0.47) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL22853425 0.91 SCN8A (0.47) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL30294880 0.91 SORT1 (0.44) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL30294304 0.90 MEN1 (0.47) RXFP1SCN8ASCN10ASORT1KDM4E
SCHEMBL22853497 0.90 MEN1 (0.47) RXFP1SCN8ASCN10ASORT1KDM4E
SCHEMBL22853481 0.90 SORT1 (0.45) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL30294346 0.90 SORT1 (0.45) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL22853149 0.88 SORT1 (0.43) RXFP1SCN8ASCN10ANTRK1NTRK2
SCHEMBL30294780 0.88 SORT1 (0.43) RXFP1SCN8ASCN10ANTRK1NTRK2

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-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
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