SCHEMBL2223239

SCHEMBL2223239

O=C(NC1=C(O)COC=C1)c1cc(Cc2ccc(C(F)F)nc2)c2cccc(F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
ADORA2A P29274 1/20 0.33
CHRM1 P11229 8/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL17656783 0.78 CHRM1 (0.48) P2RX7CHRM1
SCHEMBL12803022 0.74 CHRM1 (0.55) CHRM1
SCHEMBL2226225 0.74 APOBEC3A (0.38)
SCHEMBL6891774 0.72 ADORA2A (0.33) P2RX7ADORA2ACHRM1
SCHEMBL12802494 0.71 CHRM1 (0.43) CHRM1
SCHEMBL12802497 0.71 CHRM1 (0.43) CHRM1
SCHEMBL6892942 0.69 CHRM1 (0.49) CHRM1
SCHEMBL12803393 0.69 ADORA2A (0.32) ADORA2A
SCHEMBL17585463 0.68 CHRM1 (0.48) CHRM1
SCHEMBL6890674 0.66 CHRM1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512243-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP claimed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed