SCHEMBL7744213

SCHEMBL7744213

Cc1cccc(CCc2cccc3c2CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
CARM1 Q86X55 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL7743523 0.86 HRH3 (0.40) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL7743778 0.85 PRKCQ (0.33) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL7738290 0.82 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL7746101 0.79 CYP19A1 (0.43) CYP19A1MAPTHRH3SLC6A4HTR2B
SCHEMBL7743425 0.77 FNTA (0.37) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL7746089 0.76 CYP19A1 (0.36) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL7743502 0.75 MAPT (0.43) CYP19A1KDM4EALDH1A1MAPTHRH3
SCHEMBL7744111 0.74 HRH3 (0.37) CYP19A1CYP11B1CYP11B2HRH3CARM1
SCHEMBL7744150 0.74 HRH3 (0.37) CYP19A1CYP11B1CYP11B2HRH3CARM1
SCHEMBL7738285 0.74 HRH3 (0.37) CYP19A1CYP11B1CYP11B2HRH3

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