SCHEMBL3238408

SCHEMBL3238408

O=C(O)Oc1cn(Cc2c(F)cccc2C(F)(F)F)c2c(F)cccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
FABP4 P15090 1/20 0.43
RORC P51449 2/20 0.40
GNRHR P30968 15/20 0.39
CYP3A4 P08684 8/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 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
SCHEMBL3239684 0.90 CHRM1 (0.52) CHRM1
SCHEMBL3234282 0.88 CHRM1 (0.47) CHRM1FABP4RORC
SCHEMBL3235218 0.88 CHRM1 (0.44) CHRM1FABP4RORCCYP3A4
SCHEMBL3230300 0.86 CHRM1 (0.48) CHRM1
SCHEMBL3237079 0.86 CHRM1 (0.62) CHRM1FABP4RORCGNRHRCYP3A4
SCHEMBL3230518 0.84 CHRM1 (0.48) CHRM1
SCHEMBL3234237 0.83 CHRM1 (0.56) CHRM1FABP4
SCHEMBL3233936 0.83 CHRM1 (0.46) CHRM1
SCHEMBL3236068 0.82 CHRM1 (0.51) CHRM1RORCCYP3A4
SCHEMBL3234399 0.82 CHRM1 (0.63) CHRM1

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
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed