SCHEMBL8981005

SCHEMBL8981005

CCCCc1nc(C(F)(F)CCC)nn1Cc1ccc(-n2c(C)cc(C)c2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8981075 0.97 AGTR1 (0.37) AGTR1AGTR2ALDH1A1GAAHPGD
SCHEMBL8981364 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8980824 0.88 AGTR1 (0.47) AGTR1AGTR2ALDH1A1
SCHEMBL8980963 0.87 AGTR1 (0.44) AGTR1AGTR2ALDH1A1
SCHEMBL8980694 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9667133 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980604 0.87 AGTR1 (0.38) AGTR1AGTR2ALDH1A1GAAHPGD
SCHEMBL8980696 0.86 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980873 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980960 0.86 AGTR1 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO disclosed