SCHEMBL4309681

SCHEMBL4309681

CCCc1nc(=O)c(Br)c(CC)n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
CYP19A1 P11511 1/20 0.44
EDNRA P25101 1/20 0.40
AGTR1 P30556 1/20 0.40
CNR1 P21554 1/20 0.38

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
SCHEMBL4010668 0.89 PPARG (0.63) PPARGAGTR1
SCHEMBL4012974 0.85 PPARG (0.48) PPARGCYP19A1EDNRAAGTR1CNR1
SCHEMBL4013891 0.76 PPARG (0.61) PPARGAGTR1
SCHEMBL4011358 0.76 PPARG (0.61) PPARGAGTR1
SCHEMBL9844285 0.75 AGTR1 (0.46) PPARGCYP19A1AGTR1
SCHEMBL7177667 0.74 AGTR1 (0.63) AGTR1
SCHEMBL4016245 0.74 PPARG (0.47) PPARGEDNRAAGTR1
SCHEMBL4009875 0.74 PPARG (0.59) PPARGAGTR1
SCHEMBL4313411 0.74 PPARG (0.59) PPARGAGTR1
SCHEMBL4012581 0.74 PPARG (0.59) PPARGAGTR1

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed