SCHEMBL7746101

SCHEMBL7746101

N#Cc1ccc(CC(c2cnc[nH]2)N2CCc3ccccc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
HRH3 Q9Y5N1 1/20 0.40
NLN Q9BYT8 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
PRMT5 O14744 10/20 0.39
WDR77 Q9BQA1 10/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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) CYP19A1HRH3FPR1FPR2PRMT5
SCHEMBL7738285 0.87 HRH3 (0.37) CYP19A1HRH3FPR1FPR2DRD2
SCHEMBL7744111 0.87 HRH3 (0.37) CYP19A1HRH3FPR1FPR2DRD2
SCHEMBL7744150 0.87 HRH3 (0.37) CYP19A1HRH3DRD2DRD3
SCHEMBL7738290 0.86 CYP19A1 (0.38) CYP19A1HRH3
SCHEMBL7743523 0.86 HRH3 (0.40) CYP19A1HRH3SLC6A4
SCHEMBL7744222 0.85 CYP11B1 (0.37) CYP19A1HRH3
SCHEMBL7855272 0.85 HRH3 (0.38) CYP19A1HRH3
SCHEMBL7743502 0.84 MAPT (0.43) CYP19A1HRH3DRD2DRD3MAPT
SCHEMBL7746078 0.83 KCNJ1 (0.39) CYP19A1HRH3FPR1FPR2LMNA

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