SCHEMBL6413197

SCHEMBL6413197

N#Cc1cc(CC(c2cnc[nH]2)N2CCN(c3cc(Cl)ccc3-c3ccccc3O)C(=O)C2)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
FNTA P49354 8/20 0.32
FNTB P49356 8/20 0.32
PGGT1B P53609 6/20 0.32
IKBKB O14920 1/20 0.31
NRAS P01111 1/20 0.30
HRAS P01112 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL6416078 0.88 FNTA (0.36) FNTAFNTBPGGT1B
SCHEMBL6416690 0.84 FNTA (0.34) FPR1FPR2FNTAFNTBPGGT1B
SCHEMBL6448742 0.83 FNTA (0.37) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL6410657 0.81 FNTA (0.34) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL6469829 0.80 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL7532834 0.79 FNTA (0.43) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL6410659 0.79 FNTA (0.33) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7653568 0.79 FNTA (0.42) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7165181 0.76 FNTA (0.37) FNTAFNTBPGGT1B
SCHEMBL7163180 0.76 FNTA (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed