SCHEMBL8300491

SCHEMBL8300491

N#Cc1ccc(Cc2ncc(CCC3CCN(c4ccccc4)C(=O)C3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.41
FNTB P49356 10/20 0.41
PGGT1B P53609 7/20 0.41
BRS3 P32247 3/20 0.41
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.35
ROCK2 O75116 1/20 0.35
ACHE P22303 1/20 0.35
PRKAA2 P54646 1/20 0.35
NRAS P01111 1/20 0.35
HRAS P01112 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
Hydrochloric Acid SCHEMBL7830292 0.84 CHRM4 (0.42) BRS3MAOAMAOBACHEPRKAA2
SCHEMBL7464954 0.83 FNTA (0.45) FNTAFNTBPGGT1BBRS3ROCK2
Hydrochloric Acid SCHEMBL8301974 0.81 FNTA (0.42) FNTAFNTBPGGT1BBRS3HSD11B1
Hydrochloric Acid SCHEMBL7461836 0.79 FNTA (0.41) FNTAFNTBPGGT1BBRS3ROCK2
SCHEMBL7466881 0.79 BRS3 (0.48) FNTAFNTBPGGT1BBRS3ROCK2
SCHEMBL8310406 0.76 FNTA (0.66) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8299809 0.76 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8420854 0.76 FNTA (0.65) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8301587 0.76 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8420978 0.74 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS

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-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP disclosed
EP-0897303-A4 1999-02-24 EP disclosed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed