SCHEMBL7850296

SCHEMBL7850296

N#Cc1ccc(CC(c2cnc[nH]2)N2CC(=O)NCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
CYP19A1 P11511 12/20 0.39
GPR142 Q7Z601 1/20 0.34
CPA1 P15085 1/20 0.33
DAO P14920 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL5552211 0.82 HRH3 (0.41) HRH3CYP19A1GPR142CPA1FNTA
SCHEMBL7826548 0.81 FNTA (0.44) HRH3CYP19A1CPA1FNTAFNTB
Hydrochloric Acid SCHEMBL7834168 0.80 FNTA (0.44) HRH3CYP19A1CPA1FNTAFNTB
SCHEMBL7834674 0.79 CYP19A1 (0.45) HRH3CYP19A1CPA1FNTAFNTB
SCHEMBL7826547 0.79 CYP19A1 (0.46) HRH3CYP19A1CPA1FNTAFNTB
SCHEMBL7845880 0.77 FNTA (0.49) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7840097 0.77 FNTA (0.48) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7134263 0.74 HRH3 (0.46) HRH3CYP19A1
SCHEMBL3845496 0.74 FNTA (0.53) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7484921 0.73 HRH3 (0.45) HRH3CYP19A1

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-0891349-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-24 EP disclosed
EP-0891349-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036888-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed