SCHEMBL8506342

SCHEMBL8506342

CC(=O)N(CCCc1ccccc1)C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.54
FNTA P49354 6/20 0.45
PGGT1B P53609 6/20 0.45
CPA1 P15085 1/20 0.44
HRH3 Q9Y5N1 1/20 0.37
FNTB P49356 1/20 0.36

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
Hydrochloric Acid SCHEMBL8505330 0.99 CYP19A1 (0.53) CYP19A1FNTAPGGT1BCPA1HRH3
SCHEMBL8505582 0.77 NPC1 (0.39) CYP19A1FNTAPGGT1BFNTB
Hydrochloric Acid SCHEMBL8504372 0.77 NPC1 (0.39) CYP19A1FNTAPGGT1BFNTB
Hydrochloric Acid SCHEMBL8135939 0.76 FNTA (0.36) CYP19A1FNTAPGGT1BFNTB
SCHEMBL8368896 0.73 CYP19A1 (0.61) CYP19A1CPA1HRH3
SCHEMBL8582280 0.73 NPC1 (0.42) FNTAFNTB
Hydrochloric Acid SCHEMBL8125957 0.72 NPC1 (0.41) FNTAFNTB
SCHEMBL5892035 0.72 CYP19A1 (0.43) CYP19A1FNTAPGGT1BCPA1HRH3
SCHEMBL7053727 0.71 CPA1 (0.71) CYP19A1CPA1HRH3
Hydrochloric Acid SCHEMBL8368261 0.71 CYP19A1 (0.42) CYP19A1FNTAPGGT1BCPA1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981562-A TREATMENT OF BLINDNESS TREATING BLINDNESS RELATED TO RETINAL VASCULARIZATION MERCK & CO., INC. (US) 1999-11-09 US claimed