SCHEMBL16856594

SCHEMBL16856594

Cc1nc(-c2cc(F)ccc2C)no1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 2/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 8/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MAPT P10636 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
MAPK14 Q16539 2/20 0.40

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
SCHEMBL14363624 0.86 L3MBTL1 (0.47) L3MBTL1S1PR1NPC1GAARAB9A
SCHEMBL14363635 0.83 L3MBTL1 (0.47) L3MBTL1S1PR1NPC1GAARAB9A
SCHEMBL16067419 0.82 L3MBTL1 (0.50) L3MBTL1NPC1GAARAB9ASMN1; SMN2
SCHEMBL18195998 0.81 L3MBTL1 (0.42) L3MBTL1S1PR1OPRK1GABRG2GABRB3
SCHEMBL20928592 0.81 L3MBTL1 (0.42) L3MBTL1S1PR1OPRK1GABRG2GABRB3
SCHEMBL14363613 0.80 NPC1 (0.49) L3MBTL1NPC1RAB9A
SCHEMBL14580440 0.79 RAB9A (0.49) L3MBTL1NPC1GAARAB9ASMN1; SMN2
SCHEMBL31415432 0.79 L3MBTL1 (0.47) L3MBTL1NPC1GAARAB9ASMN1; SMN2
SCHEMBL493416 0.79 NR1H4 (0.43) S1PR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL20911215 0.79 NPC1 (0.48) L3MBTL1S1PR1NPC1RAB9ATRPM8

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-2015095442-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed