SCHEMBL7514213

SCHEMBL7514213

CN(C)CCN(C)C(=O)c1cn(Cc2cncn2CC2CCN(C(=O)OCc3ccccc3)CC2)cc1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.53
FNTB P49356 13/20 0.53
PGGT1B P53609 4/20 0.53
CYP3A4 P08684 3/20 0.44
GRIN2B Q13224 5/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
GPR119 Q8TDV5 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
SCHEMBL7507010 0.86 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4GRIN2B
SCHEMBL7509424 0.85 FNTA (0.72) FNTAFNTBPGGT1BCYP3A4GRIN2B
SCHEMBL7509613 0.82 FNTA (0.59) FNTAFNTBPGGT1BCYP3A4GRIN2B
SCHEMBL6923570 0.80 FNTA (0.68) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7509315 0.80 FNTA (0.61) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7501870 0.78 FNTA (0.43) FNTAFNTBPGGT1BCYP3A4GRIN2B
SCHEMBL7503184 0.78 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7503446 0.77 FNTA (0.62) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7504040 0.77 FNTA (0.58) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6600740 0.77 FNTA (0.66) FNTAFNTBPGGT1BCYP3A4

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-1058683-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PIPERIDINE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2002-12-04 EP claimed