SCHEMBL7743523

SCHEMBL7743523

N#Cc1ccc(Cc2cccc3c2CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
CYP19A1 P11511 11/20 0.37
CARM1 Q86X55 2/20 0.35
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL7738290 0.88 CYP19A1 (0.38) HRH3CYP19A1CARM1FNTAFNTB
SCHEMBL7744213 0.86 CYP19A1 (0.38) HRH3CYP19A1CARM1FNTAFNTB
SCHEMBL7746101 0.86 CYP19A1 (0.43) HRH3CYP19A1SLC6A4
SCHEMBL7743425 0.81 FNTA (0.37) HRH3CYP19A1FNTAFNTBCYP11B1
SCHEMBL7746089 0.80 CYP19A1 (0.36) HRH3CYP19A1FNTAFNTBCYP11B1
SCHEMBL7743778 0.80 PRKCQ (0.33) HRH3CYP19A1CARM1FNTAFNTB
SCHEMBL7855272 0.79 HRH3 (0.38) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL7744111 0.78 HRH3 (0.37) HRH3CYP19A1CARM1CYP11B1CYP11B2
SCHEMBL7738285 0.78 HRH3 (0.37) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL7744150 0.78 HRH3 (0.37) HRH3CYP19A1CARM1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US 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
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed