SCHEMBL5328690

SCHEMBL5328690

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.44
CNR2 P34972 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRA P10827 3/20 0.42
CNR1 P21554 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL5330302 0.89 MEN1 (0.48) CNR2CNR1
SCHEMBL5324532 0.81 THRB (0.65) THRBKDM4EALDH1A1MAPTHPGD
SCHEMBL5326974 0.81 THRB (0.49) THRBCNR2KDM4EALDH1A1HPGD
SCHEMBL5327228 0.78 THRB (0.42) THRBTHRA
SCHEMBL5398709 0.78 THRB (0.42) THRBKDM4EALDH1A1MAPTTHRA
SCHEMBL5332095 0.77 THRB (0.63) THRBALDH1A1HPGDTHRA
SCHEMBL5415371 0.76 THRB (0.45) THRBKDM4EALDH1A1MAPTALOX12
SCHEMBL5322895 0.75 THRB (0.40) THRBTHRA
SCHEMBL5437353 0.75 THRB (0.40) THRBKDM4EALDH1A1MAPTTHRA
SCHEMBL5329530 0.74 THRB (0.43) THRBTHRA

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