SCHEMBL7936646

SCHEMBL7936646

N#Cc1ccccc1Cc1ncc(CN(Cc2ccccc2)C2CCN(Cc3ccccc3)C2=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.52
FNTB P49356 15/20 0.52
PGGT1B P53609 9/20 0.52
KCNH2 Q12809 7/20 0.47
BRS3 P32247 1/20 0.39
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7937336 0.91 FNTA (0.56) FNTAFNTBPGGT1BKCNH2BRS3
SCHEMBL7936234 0.87 FNTA (0.64) FNTAFNTBPGGT1BKCNH2
SCHEMBL7927530 0.82 BRS3 (0.41) FNTAFNTBPGGT1BKCNH2BRS3
SCHEMBL7939460 0.76 PSEN1 (0.37) FNTAFNTBPGGT1BBRS3
SCHEMBL7927492 0.74 BRS3 (0.37) BRS3DPP4
SCHEMBL7937345 0.72 FNTA (0.79) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936645 0.71 FNTA (0.79) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936080 0.70 FNTA (0.72) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7935741 0.69 FNTA (0.42) FNTAFNTBPGGT1BKCNH2BRS3
SCHEMBL7936751 0.69 FNTA (0.37) FNTAFNTBPGGT1BBRS3

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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed