SCHEMBL7744222

SCHEMBL7744222

Cc1ccccc1-c1ccc2c(c1)CN(C(Cc1ccc(C#N)cc1)c1cnc[nH]1)CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP19A1 P11511 4/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
PIN1 Q13526 1/20 0.32
EP300 Q09472 2/20 0.32
P2RX7 Q99572 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
SCHEMBL7738184 0.89 CYP19A1 (0.41) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7746101 0.85 CYP19A1 (0.43) CYP19A1HRH3
SCHEMBL7738285 0.83 HRH3 (0.37) CYP11B1CYP11B2CYP19A1HRH3
SCHEMBL7744111 0.83 HRH3 (0.37) CYP11B1CYP11B2CYP19A1HRH3
SCHEMBL7743502 0.80 MAPT (0.43) CYP19A1HRH3
SCHEMBL7744150 0.79 HRH3 (0.37) CYP11B1CYP11B2CYP19A1HRH3
SCHEMBL7746078 0.79 KCNJ1 (0.39) CYP19A1FNTAFNTBHRH3
SCHEMBL8487145 0.79 FPR2 (0.42)
SCHEMBL7852349 0.77 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1FNTAFNTB
Trifluoroacetic Acid SCHEMBL7743550 0.76 FPR1 (0.37) CYP19A1FNTAFNTBP2RX7

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
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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed