SCHEMBL9099633

SCHEMBL9099633

CCCCC/C=C(/C(=O)O)n1cc(Br)c2cc(-c3ccccc3-c3nn[nH]n3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
AGTR2 P50052 2/20 0.42

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
SCHEMBL9099636 1.00 AGTR1 (0.44) AGTR1LTB4R2AGTR2
SCHEMBL7016997 0.81 AGTR1 (0.46) AGTR1LTB4R2
SCHEMBL7020280 0.73 AGTR1 (0.46) AGTR1LTB4R2
SCHEMBL7023331 0.70 AGTR1 (0.48) AGTR1
SCHEMBL7017865 0.68 AGTR1 (0.48) AGTR1LTB4R2AGTR2
SCHEMBL7017797 0.68 AGTR1 (0.46) AGTR1LTB4R2
SCHEMBL7020436 0.67 AGTR1 (0.47) AGTR1LTB4R2AGTR2
SCHEMBL7017110 0.67 AGTR1 (0.48) AGTR1LTB4R2AGTR2
SCHEMBL7019881 0.67 AGTR1 (0.46) AGTR1LTB4R2AGTR2
SCHEMBL7020676 0.67 AGTR1 (0.46) AGTR1LTB4R2AGTR2

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-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed