SCHEMBL4768465

SCHEMBL4768465

O=C(O)N1CCC(O)(c2cccs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.58
OPRD1 P41143 2/20 0.58
OPRK1 P41145 2/20 0.58
OPRL1 P41146 2/20 0.58
CCR1 P32246 1/20 0.45
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
PRCP P42785 1/20 0.41
GRM5 P41594 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8163018 0.81 FASN (0.56) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL5467320 0.80 SMN1; SMN2 (0.55) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL986690 0.79 GPR119 (0.47) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL14033468 0.79 NOS2 (0.58) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL1308581 0.78
SCHEMBL3639204 0.78 GRM5 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL9876730 0.76 KMT2A (0.52) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL9876733 0.76 KMT2A (0.52) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL2202814 0.76 OPRM1 (0.56) OPRM1OPRL1THRB
SCHEMBL9876737 0.76 KMT2A (0.52) OPRM1OPRD1OPRK1OPRL1GAA

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-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed