SCHEMBL5324978

SCHEMBL5324978

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.39
CYP2C9 P11712 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FGFR2 P21802 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
F10 P00742 1/20 0.34

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
SCHEMBL5324544 0.91 POLB (0.55) POLBMAPTNPSR1HTTALDH1A1
SCHEMBL5327188 0.89 THRB (0.39) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL5329550 0.82 THRB (0.39) POLBMAPTNPSR1ALDH1A1HPGD
SCHEMBL5326106 0.82 F2 (0.36) POLBMAPTLMNAKDM4ENPBWR1
SCHEMBL5330286 0.79 THRB (0.49) POLBNPSR1HTTALDH1A1HPGD
SCHEMBL5398709 0.79 THRB (0.42) POLBMAPTALDH1A1KDM4E
SCHEMBL5415371 0.77 THRB (0.45) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5328999 0.77 THRB (0.52) NPSR1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5324510 0.76 THRB (0.38) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL5326299 0.76 L3MBTL1 (0.49) POLBNPSR1ALDH1A1HPGDLMNA

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