SCHEMBL5330302

SCHEMBL5330302

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR2 P34972 15/20 0.47
FAAH O00519 5/20 0.47
CNR1 P21554 4/20 0.47
PKM P14618 1/20 0.44
RET P07949 1/20 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
SCHEMBL5328690 0.89 THRB (0.44) CNR2CNR1
SCHEMBL5328999 0.82 THRB (0.52) MEN1KMT2ACNR2
SCHEMBL5328035 0.82 THRB (0.42) MEN1KMT2ACNR2CNR1
SCHEMBL5326106 0.80 F2 (0.36)
SCHEMBL5324544 0.79 POLB (0.55) MEN1KMT2A
SCHEMBL5330286 0.78 THRB (0.49) MEN1KMT2A
SCHEMBL5324978 0.76 POLB (0.43)
SCHEMBL5329550 0.75 THRB (0.39) MEN1KMT2A
SCHEMBL5324510 0.75 THRB (0.38)
SCHEMBL5323874 0.74 RORC (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO claimed
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed