SCHEMBL7738290

SCHEMBL7738290

N#Cc1ccc(CC(c2cnc[nH]2)N2CCc3c(Br)cccc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.38
HRH3 Q9Y5N1 2/20 0.36
CARM1 Q86X55 2/20 0.33
ACACB O00763 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL7743523 0.88 HRH3 (0.40) CYP19A1HRH3CARM1CYP11B1CYP11B2
SCHEMBL7746101 0.86 CYP19A1 (0.43) CYP19A1HRH3
SCHEMBL7744111 0.84 HRH3 (0.37) CYP19A1HRH3CARM1CYP11B1CYP11B2
SCHEMBL7744150 0.84 HRH3 (0.37) CYP19A1HRH3CARM1ACACBCYP11B1
SCHEMBL7743425 0.82 FNTA (0.37) CYP19A1HRH3CYP11B1CYP11B2FNTA
SCHEMBL7744213 0.82 CYP19A1 (0.38) CYP19A1HRH3CARM1CYP11B1CYP11B2
SCHEMBL7846844 0.81 CYP19A1 (0.36) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7746089 0.81 CYP19A1 (0.36) CYP19A1HRH3CYP11B1CYP11B2FNTA
SCHEMBL7743778 0.80 PRKCQ (0.33) CYP19A1HRH3CARM1CYP11B1CYP11B2
SCHEMBL7855272 0.80 HRH3 (0.38) CYP19A1HRH3CYP11B1CYP11B2

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