SCHEMBL8958505

SCHEMBL8958505

Cc1ccnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.81
AGTR2 P50052 2/20 0.81
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
FOLH1 Q04609 1/20 0.41
PPARG P37231 4/20 0.41

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
SCHEMBL9847862 0.91 AGTR1 (0.71) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL20017271 0.90 AGTR1 (0.80) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL30838455 0.90 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL685515 0.90 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9847805 0.88 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8972527 0.86 AGTR1 (0.93) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL9847827 0.85 AGTR2 (0.69) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL9847808 0.85 AGTR2 (0.58) AGTR1AGTR2PPARG
SCHEMBL9847804 0.84 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL8800937 0.84 AGTR1 (0.79) AGTR1AGTR2NOS1NOS2PPARG

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
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed