SCHEMBL8388787

SCHEMBL8388787

N#Cc1ccc(Cn2cncc2CC(=O)NC(CN)C(=O)NCc2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.48
FNTB P49356 8/20 0.48
PGGT1B P53609 4/20 0.48
RAB9A P51151 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL9052174 0.94 FNTA (0.46) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8389739 0.90 FNTA (0.47) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL9052376 0.90 FNTA (0.47) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL9051587 0.90 FNTA (0.47) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8389011 0.90 FNTA (0.49) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8389012 0.90 FNTA (0.49) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8390690 0.86 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9051478 0.86 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8391968 0.86 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8390691 0.83 CYP11B1 (0.44) FNTAFNTBPGGT1BRAB9ACYP11B1

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
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US claimed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO claimed
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US disclosed