SCHEMBL7537110

SCHEMBL7537110

N#Cc1ccc(Cc2cncn2C[C@@H]2Cc3ccccc3CN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.44
FNTB P49356 15/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PNMT P11086 3/20 0.40

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
SCHEMBL7537123 1.00 FNTA (0.44) FNTAFNTBCYP11B1CYP11B2PNMT
SCHEMBL7582240 0.75 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7838564 0.74 CYP11B1 (0.48) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7534925 0.73 FNTA (0.46) FNTAFNTB
SCHEMBL7534933 0.73 FNTA (0.44) FNTAFNTB
SCHEMBL7533374 0.72 FNTA (0.58) FNTAFNTB
SCHEMBL7533369 0.72 FNTA (0.58) FNTAFNTB
SCHEMBL7844153 0.72 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7847986 0.71 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7839628 0.71 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2

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-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5932590-A PEPTIDOMIMETIC IMIDAZOLYL-CONTAINING 1,2,3,4-TETRAHYDRO-QUINOLINES OR AN ANALOGOUS 3-BENZAZEPINES; ANTICARCINOGENIC AND-PROLIFERATIVE AGENTS; POLYCYSTIC KIDNEY DISEASE; RESTENOSIS PREVENTION; HEPATITIS; RETINAL VASCULARZATION MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed