SCHEMBL6073497

SCHEMBL6073497

CCOC(=O)CN(Cc1ccc(OCCN2C(=O)COc3ccccc32)cc1)C(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FAAH O00519 1/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMPD1 P17405 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6073548 0.91 OPRK1 (0.48) OPRK1MEN1KMT2ACBX7CDYL2
SCHEMBL6073211 0.90 OPRK1 (0.51) OPRK1MEN1KMT2ACBX7CDYL2
SCHEMBL6073238 0.87 NPSR1 (0.45) KMT2AFAAHTSHRMAPTALDH1A1
SCHEMBL6073615 0.84 OPRK1 (0.48) OPRK1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6073010 0.80 OPRK1 (0.51) OPRK1MEN1KMT2ACBX7CDYL2
SCHEMBL6073070 0.78 FAAH (0.41) FAAHMAPTALDH1A1KDM4E
SCHEMBL6073092 0.77 KDM4E (0.40) KMT2AFAAHTSHRMAPTALDH1A1
SCHEMBL6073297 0.76 NPSR1 (0.47) FAAHL3MBTL1TSHRMAPTALDH1A1
SCHEMBL6073183 0.75 NPSR1 (0.52) TSHRMAPTHSD17B10ALDH1A1NPSR1
SCHEMBL14360396 0.74 PPARA (0.44) OPRK1L3MBTL1TSHRMAPTALDH1A1

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