SCHEMBL7744246

SCHEMBL7744246

Cc1ccccc1-c1cccc2c1ccn2C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP19A1 P11511 7/20 0.39
HRH3 Q9Y5N1 1/20 0.35
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
ADRA1D P25100 2/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A2 P23975 1/20 0.32
HTR7 P34969 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
SCHEMBL7744230 0.89 CYP19A1 (0.42) CYP11B1CYP11B2CYP19A1HRH3FNTA
SCHEMBL7744094 0.84 CYP19A1 (0.40) CYP11B1CYP11B2CYP19A1HRH3CPA1
SCHEMBL7738163 0.81 CYP19A1 (0.45) CYP19A1HRH3SLC6A2CPA1
SCHEMBL7744222 0.72 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1HRH3FNTA
SCHEMBL8486902 0.72 HRH3 (0.39) CYP11B1CYP11B2CYP19A1HRH3
SCHEMBL6923476 0.69 FNTA (0.43) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7746101 0.68 CYP19A1 (0.43) CYP19A1HRH3TP53HTR7
SCHEMBL7703563 0.68 HRH3 (0.55) CYP19A1HRH3CPA1
SCHEMBL7744245 0.68 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL2370713 0.68 FNTA (0.45) CYP11B1CYP11B2CYP19A1HRH3FNTA

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