SCHEMBL9847864

SCHEMBL9847864

CCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.58
AGTR2 P50052 2/20 0.58
PPARG P37231 1/20 0.45
MME P08473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9847799 0.93 AGTR1 (0.56) AGTR1AGTR2PPARGMME
SCHEMBL9847850 0.91 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8564718 0.90 AGTR1 (0.70) AGTR1AGTR2PPARGMME
SCHEMBL9847852 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9847804 0.87 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9847808 0.85 AGTR2 (0.58) AGTR1AGTR2PPARG
SCHEMBL9847839 0.85 PPARG (0.58) AGTR1AGTR2PPARG
SCHEMBL9847874 0.84 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL8559430 0.83 AGTR1 (0.68) AGTR1AGTR2PPARGMME
SCHEMBL8958505 0.82 AGTR1 (0.81) AGTR1AGTR2PPARG

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-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP claimed