SCHEMBL9199463

SCHEMBL9199463

CCc1nc2c(C)c(C(=O)OC)sc2n1Cc1ccc(OCc2cccc(C(=O)O)c2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL9196516 0.91 MRGPRX4 (0.38) PLA2G2AAGTR1AGTR2
SCHEMBL9203204 0.90 PLA2G2A (0.35) PLA2G2AAGTR1AGTR2MAPTOPRM1
SCHEMBL9199466 0.84 NR4A2 (0.41)
SCHEMBL9207021 0.84 MAPT (0.32) AGTR1AGTR2MAPT
SCHEMBL9200319 0.83 TP53 (0.37) AGTR1AGTR2
SCHEMBL9196521 0.82 HDAC8 (0.39) AGTR1AGTR2MAPT
SCHEMBL9204518 0.78
SCHEMBL9197935 0.78 CPB1 (0.31) AGTR1AGTR2MAPT
SCHEMBL9197943 0.73 AGTR1 (0.33) AGTR1AGTR2MAPT
SCHEMBL9203002 0.73 PPARG (0.47) AGTR1AGTR2

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
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed