SCHEMBL6582929

SCHEMBL6582929

Cc1c(NCC2CCN(C(=O)OC(C)(C)C)CC2)ccnc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
BRD4 O60885 1/20 0.47
GRIN2B Q13224 4/20 0.46
FAAH O00519 1/20 0.46
TGFBR1 P36897 2/20 0.45
SYK P43405 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 1/20 0.43
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL6582682 0.80 GRIN2B (0.38) KDM4EPKMBRD4GRIN2B
SCHEMBL6151213 0.79 GRIN2B (0.51) KDM4EPKMGRIN2BTGFBR1GPR119
SCHEMBL29578437 0.78 BRD4 (0.49) KDM4EPKMBRD4TGFBR1IDO1
SCHEMBL22944530 0.78 BRD4 (0.49) KDM4EPKMBRD4TGFBR1IDO1
SCHEMBL6580888 0.78 SCD (0.43) GRIN2B
SCHEMBL6583258 0.77 KDM4E (0.53) KDM4EPKMBRD4GRIN2BFAAH
SCHEMBL6151819 0.76 KDM4E (0.52) KDM4EPKMBRD4GRIN2BSYK
SCHEMBL6148442 0.75 CYP2D6 (0.64) KDM4EPKMGRIN2BTGFBR1GPR119
SCHEMBL3779057 0.75 KDM4E (0.53) KDM4EPKMGRIN2BFAAHSYK
SCHEMBL4646351 0.75 KDM4E (0.53) KDM4EPKMBRD4GRIN2BFAAH

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-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed