SCHEMBL7397017

SCHEMBL7397017

CCCCC1=NN(CCC2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.48
AGTR2 P50052 3/20 0.48
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
EDNRA P25101 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2B P41595 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC10A1 Q14973 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL7394885 0.88 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9846446 0.85 AGTR1 (0.40) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9531666 0.84 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL9705372 0.84 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL9705092 0.83 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9529645 0.83 AGTR1 (0.41) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9529656 0.82 AGTR1 (0.43) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9530681 0.81 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL7393370 0.81 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9530734 0.81 AGTR1 (0.47) AGTR1AGTR2

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-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP claimed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO claimed
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed