Sugi Predict

Sugi Predict / Compounds / SCHEMBL7501857

SCHEMBL7501857

SCHEMBL7501857

COCCN(C)C(=O)c1cn(C(CC2CCN(C(=O)COc3ccccc3)CC2)c2cnc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 11/20 0.42
▸ FNTB P49356 11/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ CPT2 P23786 1/20 0.39
▸ CPT1A P50416 1/20 0.39
▸ HTR2C P28335 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL7508968 0.92 FNTA (0.43) FNTAFNTBPGGT1BHTR2C
SCHEMBL7503289 0.90 FNTA (0.44) FNTAFNTBPGGT1BHTR2C
SCHEMBL7503856 0.90 FNTA (0.42) FNTAFNTBPGGT1BHTR2CALDH1A1
SCHEMBL7508235 0.90 FNTA (0.43) FNTAFNTBPGGT1BHTR2C
SCHEMBL7553094 0.89 FNTA (0.43) FNTAFNTBPGGT1BHTR2CALDH1A1
SCHEMBL7509486 0.88 FNTA (0.40) FNTAFNTBPGGT1BHTR2C
SCHEMBL7509342 0.88 FNTA (0.42) FNTAFNTBPGGT1BHTR2C
SCHEMBL7506488 0.88 FNTA (0.42) FNTAFNTBPGGT1BHTR2C
SCHEMBL7504941 0.88 FNTA (0.42) FNTAFNTBPGGT1BHTR2C
SCHEMBL7508827 0.88 FNTA (0.42) FNTAFNTBPGGT1BHTR2C

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