SCHEMBL8845233

SCHEMBL8845233

CCCc1nc(C=O)c(C(=O)OCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.47
AGTR2 P50052 7/20 0.47
AGT P01019 2/20 0.42
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9203557 0.90 AGTR1 (0.48) AGTR1AGTR2AGTRAB9A
SCHEMBL7304989 0.90 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL7301888 0.88 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL7312371 0.88 AGTR1 (0.46) AGTR1AGTR2AGTRAB9A
SCHEMBL7312346 0.85 AGT (0.46) AGTR1AGTR2AGT
SCHEMBL7308714 0.84 AGT (0.47) AGTR1AGTR2AGT
SCHEMBL7303313 0.83 AGT (0.46) AGTR1AGTR2AGT
SCHEMBL7310274 0.83 AGT (0.45) AGTR1AGTR2AGT
SCHEMBL7303806 0.82 AGTR1 (0.44) AGTR1AGTR2AGTRAB9A
SCHEMBL8845361 0.81 AGTR1 (0.43) AGTR1AGTR2AGTNPC1RAB9A

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-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed