SCHEMBL3640726

SCHEMBL3640726

Cc1cccc(C2CCCN(C#CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
TRPV3 Q8NET8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
KDM5A P29375 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PRMT5 O14744 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
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
SCHEMBL3640723 0.85 GRM5 (0.43) GRM5HTR1ADRD2DRD4KDM4E
SCHEMBL20157283 0.81 KDM5A (0.53) GRM5HTR1ADRD2DRD4TRPV3
SCHEMBL20140687 0.81 KDM5A (0.53) GRM5HTR1ADRD2DRD4TRPV3
SCHEMBL20140593 0.79 HTR1A (0.54) GRM5HTR1ADRD2DRD4TRPV3
SCHEMBL3645309 0.77 GRM5 (0.60) GRM5KDM4EPKMCCNA2CDK2
SCHEMBL31232914 0.76 GRM5 (0.48) GRM5HTR1ADRD2DRD4KDM4E
SCHEMBL3001502 0.76 GRM5 (0.48) GRM5HTR1ADRD2DRD4KDM4E
SCHEMBL31192689 0.72 KDM4E (0.52) GRM5KDM4EPKMCCNA2CDK2
SCHEMBL23530033 0.71 TRPV3 (0.54) TRPV3KDM4EALOX5APFEN1PRMT5
SCHEMBL29549796 0.71 TRPV3 (0.54) TRPV3KDM4EALOX5APFEN1PRMT5

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-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP claimed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO claimed