SCHEMBL8980978

SCHEMBL8980978

CCCCc1nc(C(C)C)nn1Cc1ccc(-n2c(F)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.35
AGTR2 P50052 4/20 0.35
UCHL3 P15374 2/20 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
SCHEMBL8981097 0.93 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980975 0.90 AGTR1 (0.36) AGTR1AGTR2UCHL3
SCHEMBL8980741 0.90 AGTR1 (0.38) AGTR1AGTR2UCHL3
SCHEMBL8981401 0.90 AGTR1 (0.36) AGTR1AGTR2UCHL3
SCHEMBL8981010 0.90 AGTR1 (0.35) AGTR1AGTR2UCHL3
SCHEMBL8980906 0.89 AGTR1 (0.34) AGTR1AGTR2UCHL3
SCHEMBL8980950 0.89 AGTR1 (0.35) AGTR1AGTR2UCHL3
SCHEMBL8981398 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980739 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8981113 0.88 AGTR1 (0.35) AGTR1AGTR2UCHL3

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