SCHEMBL7738201

SCHEMBL7738201

N#Cc1ccc(Cn2cncc2CN2CCc3ccccc32)cc1.N#Cc1ccc(Cn2cncc2Cc2n[nH]c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.49
FNTB P49356 19/20 0.49
PGGT1B P53609 4/20 0.44
KCNH2 Q12809 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL7743701 0.87 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8483628 0.86 CYP11B1 (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7744106 0.86 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP11B1
Hydrochloric Acid SCHEMBL7746020 0.85 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8480547 0.80 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP11B1
Hydrochloric Acid SCHEMBL7744123 0.80 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7743768 0.71 FNTA (0.66) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL10101653 0.71 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7738189 0.70 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL694505 0.69 PARP1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed