SCHEMBL7743502

SCHEMBL7743502

COc1cc2c(cc1OC)CN(C(Cc1ccc(C#N)cc1)c1cnc[nH]1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DRD3 P35462 3/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ABCB1 P08183 5/20 0.37
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 2/20 0.36
CYP19A1 P11511 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HCRTR1 O43613 1/20 0.36
KIT P10721 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL7746101 0.84 CYP19A1 (0.43) MAPTDRD3DRD2CYP19A1HRH3
SCHEMBL7744111 0.84 HRH3 (0.37) DRD3DRD2CYP19A1HRH3
SCHEMBL7744150 0.84 HRH3 (0.37) DRD3DRD2CYP19A1HRH3
SCHEMBL7738285 0.84 HRH3 (0.37) DRD3DRD2CYP19A1HRH3
SCHEMBL7738184 0.82 CYP19A1 (0.41) CYP19A1HRH3
SCHEMBL7746078 0.80 KCNJ1 (0.39) MAPTALDH1A1CYP19A1HRH3TDP1
SCHEMBL7744222 0.80 CYP11B1 (0.37) CYP19A1HRH3
SCHEMBL8487145 0.80 FPR2 (0.42) KDM4EALDH1A1DRD2
SCHEMBL7855272 0.80 HRH3 (0.38) CYP19A1HRH3
SCHEMBL7846844 0.79 CYP19A1 (0.36) 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 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