SCHEMBL6409770

SCHEMBL6409770

N#Cc1ccc(Cc2ncc(C=O)[nH]2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
TRPV4 Q9HBA0 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CYP11B1 P15538 11/20 0.37
CYP11B2 P19099 11/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
S1PR3 Q99500 2/20 0.35
CACNA1H O95180 1/20 0.35
MET P08581 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL6417855 0.91 GPR52 (0.37) DAOGPR52PDE3BPDE3ACACNA1H
SCHEMBL7936020 0.90 DAO (0.49) DAOTRPV4GPR52CYP11B1CYP11B2
SCHEMBL7454907 0.84 AR (0.39) CACNA1H
SCHEMBL6688212 0.81 TYMP (0.45) DAOCYP11B1CYP11B2
SCHEMBL7743907 0.79 DAO (0.47) DAOTRPV4GPR52CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7745910 0.78 DAO (0.46) DAOTRPV4GPR52CYP11B1CYP11B2
SCHEMBL6433917 0.78 DAO (0.46) DAOTRPV4GPR52CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6438009 0.77 DAO (0.45) DAOTRPV4GPR52CYP11B1CYP11B2
SCHEMBL6410258 0.77 DAO (0.40) DAOTRPV4GPR52CYP11B1CYP11B2
SCHEMBL6417203 0.74 DAO (0.40) DAOTRPV4GPR52CYP11B1CYP11B2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1332134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-08-06 EP disclosed
WO-2002060868-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-08-08 WO disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
WO-2001060368-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-08-23 WO disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
EP-1014984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-05 EP disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed