SCHEMBL6073462

SCHEMBL6073462

CCOC(=O)CN(Cc1ccc(OCCN2C(=O)CSc3ccccc32)cc1)C(=O)Oc1cc(Cl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 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
SCHEMBL6073121 0.93 NPSR1 (0.48) NPSR1LMNAMAPTTSHRALDH1A1
SCHEMBL6073520 0.91 NPSR1 (0.49) NPSR1DRD2DRD1DRD5HRH1
SCHEMBL6073290 0.91 DRD2 (0.39) NPSR1DRD2DRD1DRD5HRH1
SCHEMBL6073297 0.90 NPSR1 (0.47) NPSR1DRD2DRD1DRD5HRH1
SCHEMBL6073174 0.88 NPSR1 (0.49) NPSR1LMNAMAPTTSHRALDH1A1
SCHEMBL6073183 0.87 NPSR1 (0.52) NPSR1LMNAMAPTTSHRALDH1A1
SCHEMBL6073002 0.87 NPSR1 (0.51) NPSR1LMNAMAPTTSHRALDH1A1
SCHEMBL6073165 0.85 NPSR1 (0.49) NPSR1LMNAMAPTTSHRALDH1A1
SCHEMBL6073063 0.83 TSHR (0.41) NPSR1LMNATSHRALDH1A1
SCHEMBL6073238 0.82 NPSR1 (0.45) NPSR1DRD2DRD1DRD5HRH1

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-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed