SCHEMBL8942988

SCHEMBL8942988

CCCc1nc2c(C)cc(NC(=C[N+](=O)[O-])SC)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.53
AGTR2 P50052 7/20 0.52
EDNRA P25101 1/20 0.48

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
SCHEMBL8943152 0.95 AGTR1 (0.46) AGTR1AGTR2EDNRA
SCHEMBL8942891 0.93 AGTR1 (0.45) AGTR1AGTR2EDNRA
SCHEMBL8943072 0.86 AGTR1 (0.50) AGTR1AGTR2EDNRA
SCHEMBL8943031 0.86 AGTR1 (0.51) AGTR1AGTR2EDNRA
SCHEMBL8942736 0.84 AGTR1 (0.65) AGTR1AGTR2EDNRA
SCHEMBL8942810 0.84 AGTR1 (0.53) AGTR1AGTR2EDNRA
SCHEMBL7310021 0.83 AGTR1 (0.60) AGTR1AGTR2EDNRA
SCHEMBL7309888 0.83 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL7314803 0.81 AGTR1 (0.58) AGTR1AGTR2EDNRA
SCHEMBL7313497 0.81 AGTR1 (0.61) 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 1 patent. 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 disclosed