SCHEMBL9197935

SCHEMBL9197935

CCc1nc2c(C)c(C(=O)OC)sc2n1Cc1ccc(OCc2cccc(-c3nnn[nH]3)c2C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 3/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL9207021 0.91 MAPT (0.32) MAPTAGTR1AGTR2
SCHEMBL9197943 0.85 AGTR1 (0.33) CPB1MAPTAGTR1AGTR2
SCHEMBL9287158 0.85 TLR7 (0.39) AGTR1AGTR2
SCHEMBL9203204 0.84 PLA2G2A (0.35) MAPTAGTR1AGTR2
SCHEMBL9206193 0.83 AGTR1 (0.33) MAPTAGTR1AGTR2
SCHEMBL9202538 0.80 MAPT (0.32) MAPTAGTR1AGTR2
SCHEMBL9199463 0.78 PLA2G2A (0.36) MAPTAGTR1AGTR2
SCHEMBL9287163 0.78 TLR7 (0.37) AGTR1AGTR2
SCHEMBL9196516 0.77 MRGPRX4 (0.38) AGTR1AGTR2
SCHEMBL9203634 0.74 MAPT (0.34) MAPTAGTR1AGTR2

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