SCHEMBL9044003

SCHEMBL9044003

CCCCc1nc(C)c(-c2ccccc2)c(=O)n1Cc1ccc(OCc2ccccc2C(=O)O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46

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
SCHEMBL9044886 0.93 MRGPRX4 (0.46) MRGPRX4AGTR1AGTR2
SCHEMBL9041516 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9040731 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9044012 0.89 AGTR1 (0.50) MRGPRX4AGTR1AGTR2
SCHEMBL9044992 0.88 PPARG (0.44)
SCHEMBL9041289 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9042339 0.87 MRGPRX4 (0.43) MRGPRX4AGTR1AGTR2
SCHEMBL9043505 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9041440 0.86 PTGES (0.49)
SCHEMBL9041522 0.81 AGTR1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed