SCHEMBL8300489

SCHEMBL8300489

N#Cc1ccc(Cn2cncc2CCc2ccc(N3CCCCC3=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.60
FNTB P49356 17/20 0.60
PGGT1B P53609 11/20 0.60
NRAS P01111 1/20 0.54
HRAS P01112 1/20 0.54
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
KCNH2 Q12809 1/20 0.52

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
SCHEMBL3503737 0.89 FNTA (0.61) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7830288 0.83 CYP11B1 (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7459721 0.79 NPC1 (0.57) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL4586702 0.77 ALDH1A1 (0.51)
SCHEMBL7655240 0.77 FNTA (0.84) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8183619 0.77 CYP11B1 (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8310406 0.75 FNTA (0.66) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8420854 0.74 FNTA (0.65) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7526455 0.74 FNTA (0.66) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7452379 0.73 FNTA (0.65) FNTAFNTBPGGT1BKCNH2

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