SCHEMBL7459728

SCHEMBL7459728

N#Cc1ccc(Cc2ncc(CCNC(=O)C3CCCN(c4ccccc4)C3=O)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
PGGT1B P53609 4/20 0.42
GPBAR1 Q8TDU6 8/20 0.41
BRS3 P32247 1/20 0.41
ERG P11308 3/20 0.39
USP30 Q70CQ3 1/20 0.38
PRKAA2 P54646 2/20 0.37
EP300 Q09472 3/20 0.37
DGAT2 Q96PD7 1/20 0.36
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL7452346 0.99 FNTA (0.42) FNTAFNTBPGGT1BGPBAR1BRS3
SCHEMBL7841490 0.82 CHRM4 (0.54) GPBAR1BRS3ERGEP300
Hydrochloric Acid SCHEMBL7845666 0.82 CHRM4 (0.53) GPBAR1BRS3ERGEP300
Hydrochloric Acid SCHEMBL7461836 0.81 FNTA (0.41) FNTAFNTBPGGT1BBRS3DGAT2
SCHEMBL8431372 0.79 FNTA (0.69) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8429911 0.78 FNTA (0.68) FNTAFNTBPGGT1B
SCHEMBL7464954 0.78 FNTA (0.45) FNTAFNTBPGGT1BBRS3
Hydrochloric Acid SCHEMBL8301974 0.75 FNTA (0.42) FNTAFNTBPGGT1BBRS3
SCHEMBL7466881 0.74 BRS3 (0.48) FNTAFNTBPGGT1BBRS3
SCHEMBL8300491 0.74 FNTA (0.41) FNTAFNTBPGGT1BBRS3PRKAA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891360-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-05-15 EP disclosed
EP-0891360-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036900-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed