SCHEMBL580032

SCHEMBL580032

C[C@@H](OC(=O)C(c1ccccc1)N1CCC(C)(O)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.56
OPRK1 P41145 6/20 0.56
OPRL1 P41146 6/20 0.56
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRD1 P41143 5/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LPAR1 Q92633 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
SCHEMBL303799 1.00 OPRM1 (0.56) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL3729279 0.88 OPRM1 (0.54) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL3729276 0.88 OPRM1 (0.54) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL304093 0.87 OPRL1 (0.75) OPRM1OPRK1OPRL1OPRD1
SCHEMBL541284 0.87 OPRL1 (0.75) OPRM1OPRK1OPRL1OPRD1
SCHEMBL14277129 0.83 LMNA (0.69) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL753058 0.82 LMNA (0.52) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL18526696 0.82 LMNA (0.52) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL303920 0.82 LMNA (0.63) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL2707046 0.82 LMNA (0.63) OPRM1OPRK1OPRL1LMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417126-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-15 EP disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
EP-2328865-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-08 EP disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed