SCHEMBL8472989

SCHEMBL8472989

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@@H](C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.47
AGTR2 P50052 6/20 0.40
LTB4R2 Q9NPC1 3/20 0.39
ABCB11 O95342 1/20 0.39
GP6 Q9HCN6 1/20 0.39
CMKLR1 Q99788 1/20 0.38

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
SCHEMBL2529 0.91 AGTR1 (0.53) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL8477688 0.90 AGTR1 (0.50) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL8524093 0.90 AGTR1 (0.50) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL8476202 0.90 AGTR1 (0.48) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL683473 0.85 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL7269293 0.85 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL8477037 0.84 AGTR1 (0.51) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL2773 0.84 AGTR1 (0.51) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL2692 0.84 AGTR1 (0.44) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL10197324 0.83 AGTR1 (0.43) AGTR1AGTR2LTB4R2

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-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed