SCHEMBL6888879

SCHEMBL6888879

CCC[C@H](N)CNc1ccc(OCC2CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.44
PARP10 Q53GL7 5/20 0.44
PARP2 Q9UGN5 2/20 0.44
FFAR1 O14842 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
ACACB O00763 1/20 0.36
CTSK P43235 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11903971 0.81 GPR88 (0.44) PARP15PARP10PARP2FFAR1CTSS
SCHEMBL15146004 0.81 GPR88 (0.44) PARP15PARP10PARP2FFAR1CTSS
SCHEMBL15146150 0.79 PARP15 (0.44) PARP15PARP10PARP2FFAR1CTSS
SCHEMBL20969685 0.79 PARP15 (0.50) PARP15PARP10PARP2FFAR1CTSS
SCHEMBL20969564 0.75 PARP15 (0.51) PARP15PARP10PARP2FFAR1CTSS
SCHEMBL24618063 0.73 PARP15 (0.53) PARP15PARP10PARP2FNTAFNTB
SCHEMBL20969745 0.73 PARP15 (0.47) PARP15PARP10PARP2KDM4EALDH1A1
SCHEMBL4427324 0.71 PARP10 (0.51) PARP15PARP10PARP2CTSSCTSL
SCHEMBL20969688 0.70 PARP15 (0.54) PARP15PARP10PARP2FFAR1GPR88
SCHEMBL23355280 0.70 PARP15 (0.53) PARP15PARP10PARP2FNTAFNTB

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-2486014-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-31 EP disclosed
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed