SCHEMBL9200610

SCHEMBL9200610

CCCCc1nc(NC(N)=O)[nH]c(=O)c1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.42
AGTR2 P50052 2/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8979817 0.91 AGTR2 (0.51) BRS3AGTR2AGTR1
SCHEMBL9276388 0.91 BRS3 (0.41) BRS3AGTR2AGTR1ALDH1A1
SCHEMBL9200596 0.86 BRS3 (0.42) BRS3AGTR2AGTR1
SCHEMBL8979907 0.84 AGTR1 (0.46) BRS3AGTR2AGTR1
SCHEMBL9202381 0.83 ACHE (0.39) AGTR2AGTR1ALDH1A1
SCHEMBL9270044 0.82 AGTR1 (0.38) BRS3AGTR2AGTR1ALDH1A1
SCHEMBL8979812 0.81 AGTR2 (0.50) BRS3AGTR2AGTR1
SCHEMBL8979855 0.81 AGTR1 (0.50) BRS3AGTR2AGTR1
SCHEMBL9198030 0.80 AGTR1 (0.40) BRS3AGTR2AGTR1
SCHEMBL9200830 0.78 RNASEH1 (0.46) BRS3

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
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed