SCHEMBL6433917

SCHEMBL6433917

N#Cc1ccc(Cc2ncc(CO)[nH]2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
CYP11B1 P15538 9/20 0.46
CYP11B2 P19099 9/20 0.46
TRPV4 Q9HBA0 1/20 0.40
S1PR3 Q99500 2/20 0.39
BRS3 P32247 4/20 0.39
S1PR1 P21453 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CACNA1H O95180 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
SCHEMBL7715298 0.91 DAO (0.51) DAOCYP11B1CYP11B2TRPV4S1PR3
SCHEMBL7743907 0.88 DAO (0.47) DAOCYP11B1CYP11B2TRPV4GPR52
Hydrochloric Acid SCHEMBL7745910 0.87 DAO (0.46) DAOCYP11B1CYP11B2TRPV4GPR52
Hydrochloric Acid SCHEMBL6438009 0.86 DAO (0.45) DAOCYP11B1CYP11B2TRPV4BRS3
SCHEMBL7455068 0.83 AR (0.39) BRS3CACNA1H
SCHEMBL6432281 0.81 DAO (0.42) DAOCYP11B1CYP11B2BRS3GPR52
Bromide SCHEMBL6409244 0.81 DAO (0.42) DAOCYP11B1CYP11B2BRS3GPR52
SCHEMBL7129739 0.79 BRS3 (0.52) DAOCYP11B1CYP11B2BRS3
SCHEMBL7163807 0.79 KCNH2 (0.44) DAOGPR52
SCHEMBL8163840 0.78 KCNH2 (0.45) DAOGPR52

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 16 patents. 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-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
WO-2002002108-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-01-10 WO disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001060368-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-08-23 WO disclosed
EP-1090011-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-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed