SCHEMBL8979903

SCHEMBL8979903

CCCc1[nH]cnc(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.47
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
BDKRB1 P46663 4/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
ACHE P22303 1/20 0.44
AGTR1 P30556 3/20 0.44
AGTR2 P50052 1/20 0.44
ROCK2 O75116 1/20 0.42
CSF1R P07333 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
ROCK1 Q13464 1/20 0.42
SLK Q9H2G2 1/20 0.42
IRAK4 Q9NWZ3 1/20 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
SCHEMBL8979781 0.95 AGTR1 (0.48) BRS3BDKRB1LTB4R2ACHEAGTR1
SCHEMBL8979771 0.89 BRS3 (0.49) BRS3AGTR1AGTR2
SCHEMBL8979910 0.85 BRS3 (0.46) BRS3SLC6A3SLC6A4BDKRB1LTB4R2
SCHEMBL8979747 0.84 BRS3 (0.54) BRS3AGTR1AGTR2
SCHEMBL8979783 0.81 AGTR1 (0.48) BRS3BDKRB1LTB4R2ACHEAGTR1
SCHEMBL8668602 0.79 BDKRB1 (0.43) BRS3SLC6A3SLC6A4BDKRB1LTB4R2
SCHEMBL8979758 0.79 AGTR1 (0.49) BRS3SLC6A3SLC6A4BDKRB1LTB4R2
SCHEMBL8979872 0.79 AGTR1 (0.49) BRS3BDKRB1LTB4R2ACHEAGTR1
SCHEMBL8673612 0.78 AGTR1 (0.49) BRS3BDKRB1LTB4R2ACHEAGTR1
SCHEMBL9136676 0.78 AGTR1 (0.49) BRS3BDKRB1LTB4R2ACHEAGTR1

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-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed