SCHEMBL8943162

SCHEMBL8943162

CCc1nc2c(C)cc(N/C(=N\C#N)N(C)C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.45
AGTR2 P50052 8/20 0.44
EDNRA P25101 1/20 0.40

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
SCHEMBL8943168 1.00 AGTR1 (0.45) AGTR1AGTR2EDNRA
SCHEMBL8942718 0.94 AGTR1 (0.52) AGTR1AGTR2EDNRA
SCHEMBL8942715 0.94 AGTR1 (0.52) AGTR1AGTR2EDNRA
SCHEMBL8943083 0.88 AGTR1 (0.46) AGTR1AGTR2EDNRA
SCHEMBL8943076 0.88 AGTR1 (0.46) AGTR1AGTR2EDNRA
SCHEMBL8943133 0.88 AGTR1 (0.50) AGTR1AGTR2EDNRA
SCHEMBL8943123 0.88 AGTR1 (0.50) AGTR1AGTR2EDNRA
SCHEMBL8943102 0.88 AGTR1 (0.44) AGTR1AGTR2EDNRA
SCHEMBL8943109 0.88 AGTR1 (0.44) AGTR1AGTR2EDNRA
SCHEMBL8942697 0.87 AGTR1 (0.49) AGTR1AGTR2EDNRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521177-A ANGIOTENSIN ANTAGONIST FOR CARDIOVASCULAR DISORDERS SUCH AS ISCHEMIA OR CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS COGNITIVE FUNCTIONS, DEPRESSION, ALZHEIMER'S DISEASE OR PARKINSON'S SYNDROME DR. KARL THOMAE GMBH (DE) 1996-05-28 US claimed
US-5521177-A ANGIOTENSIN ANTAGONIST FOR CARDIOVASCULAR DISORDERS SUCH AS ISCHEMIA OR CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS COGNITIVE FUNCTIONS, DEPRESSION, ALZHEIMER'S DISEASE OR PARKINSON'S SYNDROME DR. KARL THOMAE GMBH (DE) 1996-05-28 US disclosed