SCHEMBL4982571

SCHEMBL4982571

O=C(Cc1cccc(C2CCCCCC2)c1O)OC1C2CCC1NC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
PTPN5 P54829 2/20 0.30
PTPN2 P17706 1/20 0.30
PTGDR Q13258 1/20 0.30
CYP19A1 P11511 1/20 0.30
THRB P10828 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4987231 1.00 NAAA (0.39) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4183549 0.99 NAAA (0.37) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4186784 0.87 NAAA (0.39) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4184504 0.78 OPRM1 (0.33) NAAAPTGDR2OPRM1OPRK1PTPN5
SCHEMBL4985782 0.77 OPRM1 (0.33) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4977956 0.76 OPRM1 (0.34) NAAAPTGDR2OPRM1OPRK1PTPN5
SCHEMBL1999955 0.76 SLC6A2 (0.40) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4193805 0.76 GRIN2B (0.38) PTGDR2KDM4EALDH1A1HPGD
SCHEMBL20476348 0.75 KDM4E (0.41) NAAAPTGDR2KDM4EALDH1A1HPGD
SCHEMBL4189075 0.75 SIGMAR1 (0.34) NAAAPTGDR2OPRM1OPRK1

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
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO disclosed