SCHEMBL7744150

SCHEMBL7744150

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
CYP19A1 P11511 13/20 0.37
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
IDO1 P14902 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ACACB O00763 1/20 0.32
CARM1 Q86X55 1/20 0.31
ASIC3 Q9UHC3 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
SCHEMBL7744111 0.96 HRH3 (0.37) HRH3CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL7746101 0.87 CYP19A1 (0.43) HRH3CYP19A1DRD2DRD3
SCHEMBL7738285 0.85 HRH3 (0.37) HRH3CYP19A1CYP11B1CYP11B2DRD2
SCHEMBL7738290 0.84 CYP19A1 (0.38) HRH3CYP19A1CYP11B1CYP11B2ACACB
SCHEMBL7743502 0.84 MAPT (0.43) HRH3CYP19A1DRD2DRD3
SCHEMBL7846844 0.83 CYP19A1 (0.36) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL7738184 0.83 CYP19A1 (0.41) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL7746078 0.81 KCNJ1 (0.39) HRH3CYP19A1
SCHEMBL7855272 0.81 HRH3 (0.38) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL7738241 0.81 CYP19A1 (0.36) HRH3CYP19A1CYP11B1CYP11B2IDO1

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 8 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
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US 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