SCHEMBL2487909

SCHEMBL2487909

O=C(O)Oc1cn(Cc2ccc(-c3cccnc3)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.43
ABCB1 P08183 8/20 0.38
PDE10A Q9Y233 1/20 0.38
ERN1 O75460 1/20 0.37
ABCC1 P33527 4/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
P2RX7 Q99572 2/20 0.35

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
SCHEMBL2492208 0.90 CHRM1 (0.41) CHRM1ERN1
SCHEMBL2486084 0.90 CHRM1 (0.53) CHRM1P2RX7
SCHEMBL2487494 0.87 CHRM1 (0.40) CHRM1
SCHEMBL2492205 0.87 CHRM1 (0.41) CHRM1
SCHEMBL2487906 0.86 CHRM1 (0.60) CHRM1ABCB1ERN1TOP2ATOP2B
SCHEMBL2488465 0.85 CHRM1 (0.41) CHRM1P2RX7
SCHEMBL2488348 0.85 CHRM1 (0.40) CHRM1
SCHEMBL2487485 0.85 CHRM1 (0.45) CHRM1MKNK1MKNK2
SCHEMBL2491881 0.84 ERN1 (0.42) CHRM1ERN1MKNK1MKNK2
SCHEMBL2488025 0.84 CHRM1 (0.41) 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-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed