SCHEMBL7743907

SCHEMBL7743907

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
HRH1 P35367 2/20 0.42
HTR1B P28222 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
GPR52 Q9Y2T5 1/20 0.39
CYP11B1 P15538 9/20 0.39
CYP11B2 P19099 9/20 0.39
NSD2 O96028 1/20 0.38
RAD52 P43351 1/20 0.37
UBE2N P61088 1/20 0.37

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
Hydrochloric Acid SCHEMBL7745910 0.99 DAO (0.46) DAOHRH1HTR1BTRPV4HRH4
Hydrochloric Acid SCHEMBL6438009 0.92 DAO (0.45) DAOHRH1HTR1BTRPV4GPR52
SCHEMBL6433917 0.88 DAO (0.46) DAOTRPV4GPR52CYP11B1CYP11B2
SCHEMBL6432281 0.82 DAO (0.42) DAOGPR52CYP11B1CYP11B2
SCHEMBL7843395 0.82 HRH3 (0.47) DAOHRH1HTR1BHRH4NSD2
Bromide SCHEMBL6409244 0.81 DAO (0.42) DAOGPR52CYP11B1CYP11B2
SCHEMBL7163807 0.80 KCNH2 (0.44) DAOHRH1GPR52NSD2
SCHEMBL8163840 0.79 KCNH2 (0.45) DAOGPR52NSD2
SCHEMBL7715298 0.79 DAO (0.51) DAOTRPV4CYP11B1CYP11B2
SCHEMBL6409770 0.79 DAO (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed