SCHEMBL7738241

SCHEMBL7738241

N#Cc1ccc(CC(c2cnc[nH]2)N2CCc3cc(Br)ccc3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.36
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
HRH3 Q9Y5N1 6/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 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
Hydrochloric Acid SCHEMBL7744212 0.99 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2HRH3FNTA
SCHEMBL7744111 0.81 HRH3 (0.37) CYP19A1CYP11B1CYP11B2HRH3IDO1
SCHEMBL7744150 0.81 HRH3 (0.37) CYP19A1CYP11B1CYP11B2HRH3IDO1
SCHEMBL8481060 0.73 CYP19A1 (0.34) CYP19A1HRH3FNTAFNTBKCNH2
SCHEMBL7836006 0.73 FNTA (0.53) CYP19A1FNTAFNTBKCNH2
Hydrochloric Acid SCHEMBL8483235 0.72 CYP19A1 (0.34) CYP19A1HRH3FNTAFNTB
SCHEMBL5552211 0.72 HRH3 (0.41) CYP19A1HRH3FNTAFNTB
Hydrochloric Acid SCHEMBL7838781 0.72 FNTA (0.52) CYP19A1FNTAFNTBKCNH2
SCHEMBL8486902 0.72 HRH3 (0.39) CYP19A1CYP11B1CYP11B2HRH3IDO1
SCHEMBL7746101 0.71 CYP19A1 (0.43) CYP19A1HRH3

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 7 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 claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO 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