SCHEMBL8980644

SCHEMBL8980644

CCCCc1nc(CCCC)n(Cc2ccc(-n3c(-c4nnn[nH]4)ccc3C(F)(F)F)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
AGTR2 P50052 2/20 0.45
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8981236 0.97 AGTR1 (0.42) AGTR1AGTR2ALDH1A1GAAHPGD
SCHEMBL8981090 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8981194 0.93 AGTR1 (0.36) AGTR1AGTR2ALDH1A1GAAHPGD
SCHEMBL8981253 0.93 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8981161 0.92 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8981380 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981198 0.91 AGTR1 (0.35) AGTR1AGTR2ALDH1A1GAAHPGD
SCHEMBL8981402 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981108 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981590 0.90 AGTR1 (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US claimed
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 claimed
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