SCHEMBL5796313

SCHEMBL5796313

COC(=O)C1(c2cccc(OC)c2)CCC([AsH]C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
ADAM17 P78536 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.39
GRIN2B Q13224 2/20 0.39
NPY1R P25929 1/20 0.39
KDM1A O60341 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SOAT1 P35610 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL5796310 1.00 OPRD1 (0.44) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL4881637 0.82 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL4873590 0.82 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL4873596 0.82 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL27736564 0.81 ADAM17 (0.56) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL4868377 0.80 ADAM17 (0.48) OPRD1ADAM17ALDH1A1MEN1KMT2A
SCHEMBL4882566 0.80 HDAC4 (0.48) OPRD1OPRM1OPRK1OPRL1ADAM17
SCHEMBL4872683 0.79 ADAM17 (0.52) OPRM1ADAM17ALDH1A1MEN1KMT2A
SCHEMBL5476317 0.78 OPRM1 (0.69) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL2846322 0.76 ADAM17 (0.53) OPRD1OPRM1OPRK1ADAM17ALDH1A1

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
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed