SCHEMBL15519278

SCHEMBL15519278

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
CHRM1 P11229 3/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TOP1 P11387 6/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL15520440 0.90 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL15520697 0.87 HCRTR1 (0.43) HCRTR1HCRTR2CHRM1ATML3MBTL1
SCHEMBL2397468 0.84 CHRM1 (0.53) CHRM1TOP1
SCHEMBL15520408 0.83 CHRM1 (0.42) CHRM1
SCHEMBL12310584 0.81 HCRTR1 (0.38) HCRTR1HCRTR2CHRM1ATML3MBTL1
SCHEMBL2394956 0.81 ATM (0.46) HCRTR1HCRTR2CHRM1ATML3MBTL1
SCHEMBL2395575 0.77 HCRTR1 (0.43) HCRTR1HCRTR2CHRM1TOP1
SCHEMBL8007510 0.75 CHRM1 (0.43) CHRM1TOP1CNR1CNR2
SCHEMBL15520587 0.75 CHRM1 (0.38) HCRTR1HCRTR2CHRM1ATML3MBTL1
SCHEMBL15520369 0.75 CHRM1 (0.38) HCRTR1HCRTR2CHRM1ATML3MBTL1

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-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP claimed