SCHEMBL4370947

SCHEMBL4370947

N=C(N)NCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccc3c(c2)CCCC3)nc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.40
OPRD1 P41143 13/20 0.40
OPRK1 P41145 11/20 0.40
HRH3 Q9Y5N1 6/20 0.39
MLNR O43193 1/20 0.37
CYP2D6 P10635 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
SCHEMBL4373487 0.88 OPRM1 (0.44) OPRM1OPRD1OPRK1HRH3MLNR
SCHEMBL1798723 0.80 ADAM17 (0.49)
SCHEMBL4375889 0.79 MAPK8 (0.35)
SCHEMBL1799173 0.75 MMP2 (0.41)
SCHEMBL4372258 0.74 F2 (0.41)
SCHEMBL1800832 0.73 F2 (0.37) HRH3MLNRCYP2D6
SCHEMBL1798846 0.73 DAGLA (0.38) HRH3
SCHEMBL4542075 0.72 HPGDS (0.42) MLNR
SCHEMBL1798242 0.67 MMP2 (0.42) OPRM1OPRD1OPRK1MLNRCYP2D6
SCHEMBL1798842 0.65 ADAM17 (0.50)

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed