SCHEMBL17656783

SCHEMBL17656783

O=C(NC1CCOCC1)c1cc(Cc2ccc(C(F)F)nc2)c2cccc(F)c2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.48
BRD4 O60885 1/20 0.40
CNR2 P34972 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL6892942 0.90 CHRM1 (0.49) CHRM1BRD4CNR2GSK3BKCNH2
SCHEMBL12803022 0.89 CHRM1 (0.55) CHRM1
SCHEMBL6890674 0.87 CHRM1 (0.49) CHRM1BRD4KCNH2NPC1RAB9A
SCHEMBL12802494 0.85 CHRM1 (0.43) CHRM1
SCHEMBL12802497 0.85 CHRM1 (0.43) CHRM1
SCHEMBL17585463 0.81 CHRM1 (0.48) CHRM1
SCHEMBL2223239 0.78 P2RX7 (0.33) CHRM1P2RX7
SCHEMBL2222661 0.78 CHRM1 (0.57) CHRM1
SCHEMBL2225587 0.78 CHRM1 (0.57) CHRM1
SCHEMBL2224239 0.77 CHRM1 (0.56) 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-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed