SCHEMBL7316455

SCHEMBL7316455

CCCCc1nnc(-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51

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
SCHEMBL7325814 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9843685 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7311106 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9402071 0.84 PDE4A (0.64)
SCHEMBL9872519 0.84 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7321568 0.83 ADORA2B (0.41) AGTR2
SCHEMBL9844155 0.83 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9843777 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9843837 0.83 AGTR1 (0.59) AGTR1
SCHEMBL13449210 0.83 AGTR1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071913-A 2-(1H-TETRAZOL-5-YL)-4'-(AS-TRIAZIN-YLMETHYL)BIPHENYLS; CARDIOVASCULAR DISEASES, ESPECIALLY HYPERTENSION AND CONGESTIVE HEART FAILURE DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2000-06-06 US disclosed