SCHEMBL8907873

SCHEMBL8907873

CCCCc1nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3CCCC)cc2n1-c1cccc(-c2ccccc2C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.46
PPARG P37231 2/20 0.46
AGTR2 P50052 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL8905544 0.89 PPARG (0.48) AGTR1PPARGAGTR2KDM4E
SCHEMBL8905895 0.88 PPARG (0.47) AGTR1PPARGAGTR2
SCHEMBL8907871 0.86 KDM4E (0.45) AGTR1PPARGAGTR2KDM4ETDP1
SCHEMBL8788720 0.84 AGTR1 (0.65) AGTR1PPARGAGTR2
SCHEMBL8906716 0.83 AGTR1 (0.53) AGTR1PPARGAGTR2KDM4E
SCHEMBL8905593 0.82 PPARG (0.50) AGTR1PPARGAGTR2KDM4E
SCHEMBL8906712 0.81 PPARG (0.49) AGTR1PPARGAGTR2KDM4E
SCHEMBL8906835 0.80 AGTR1 (0.49) AGTR1PPARGAGTR2
SCHEMBL8905966 0.80 AGTR1 (0.47) AGTR1PPARGAGTR2
SCHEMBL8905980 0.80 PPARG (0.51) AGTR1PPARGAGTR2KDM4E

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed