SCHEMBL15520440

SCHEMBL15520440

COc1ccccc1-c1ccc(Cn2cc(OC(=O)O)c(=O)c3c2CCCC3O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 8/20 0.43
GRM2 Q14416 1/20 0.41
ICMT O60725 1/20 0.40
ITGA4 P13612 6/20 0.39
ITGB1 P05556 5/20 0.39
MCHR1 Q99705 1/20 0.39
DAGLA Q9Y4D2 1/20 0.37
ITGB7 P26010 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL15519278 0.90 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2395575 0.88 HCRTR1 (0.43) HCRTR1HCRTR2GRM2ICMTITGA4
SCHEMBL15520697 0.81 HCRTR1 (0.43) HCRTR1HCRTR2TP53MAPT
SCHEMBL8007510 0.76 CHRM1 (0.43)
SCHEMBL2397468 0.75 CHRM1 (0.53)
SCHEMBL2394956 0.73 ATM (0.46) HCRTR1HCRTR2
SCHEMBL15520408 0.73 CHRM1 (0.42)
SCHEMBL12310584 0.72 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL8325773 0.72 AGTR1 (0.40)
SCHEMBL2393836 0.68 CHRM1 (0.49) HCRTR1HCRTR2

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