SCHEMBL15520697

SCHEMBL15520697

COC1CCCc2c1c(=O)c(OC(=O)O)cn2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.43
HCRTR2 O43614 6/20 0.43
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM1 P11229 3/20 0.37
TOP1 P11387 6/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 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
SCHEMBL15519278 0.87 HCRTR1 (0.41) HCRTR1HCRTR2ATML3MBTL1CHRM1
SCHEMBL2393836 0.86 CHRM1 (0.49) HCRTR1HCRTR2CHRM1TOP1
SCHEMBL2394880 0.82 ATM (0.44) HCRTR1HCRTR2ATML3MBTL1CHRM1
SCHEMBL15520440 0.81 HCRTR1 (0.43) HCRTR1HCRTR2TP53MAPT
SCHEMBL15520408 0.80 CHRM1 (0.42) CHRM1
SCHEMBL15520369 0.74 CHRM1 (0.38) HCRTR1HCRTR2ATML3MBTL1CHRM1
SCHEMBL15579846 0.73 CHRM1 (0.52) CHRM1TOP1
SCHEMBL15520587 0.72 CHRM1 (0.38) HCRTR1HCRTR2ATML3MBTL1CHRM1
SCHEMBL2397468 0.72 CHRM1 (0.53) CHRM1TOP1
SCHEMBL8010332 0.71 CHRM1 (0.49) CHRM1TOP1

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