SCHEMBL14747460

SCHEMBL14747460

O=C(O)c1cn(Cc2ccccc2F)c2c(F)cccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.72
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NOD2 Q9HC29 1/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.48
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14747227 0.91 CHRM1 (0.68) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3234551 0.91 CHRM1 (0.67) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3234278 0.88 CHRM1 (0.64) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3234394 0.88 CHRM1 (0.86) CHRM1MAPTLMNATP53
SCHEMBL3228651 0.88 CHRM1 (0.64) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3233806 0.88 CHRM1 (0.64) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3234585 0.87 CHRM1 (0.63) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL2488647 0.87 CHRM1 (0.76) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3233931 0.87 CHRM1 (0.62) CHRM1NPC1RAB9ANOD2MAPT
SCHEMBL3230348 0.87 CHRM1 (0.72) CHRM1MAPTLMNA

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
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed