SCHEMBL19363797

SCHEMBL19363797

Nc1cc(C(CCNC23CCCC(C2)C(c2ccccc2)[C@H](O)C3)c2ccn(CCc3cccc(O)c3)n2)c2nn[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 12/20 0.49
▸ OPRM1 P35372 8/20 0.32
▸ OPRD1 P41143 8/20 0.32
▸ OPRK1 P41145 8/20 0.32
▸ EPX P11678 1/20 0.31

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
SCHEMBL22433098 0.84 MPO (0.56) MPOOPRM1OPRD1OPRK1EPX
SCHEMBL19363911 0.77 MPO (0.78) MPOEPX
SCHEMBL19358571 0.73 MPO (0.70) MPOEPX
SCHEMBL19358547 0.73 MPO (0.79) MPOEPX
SCHEMBL19363796 0.71 MPO (0.54) MPOOPRM1OPRD1OPRK1EPX
SCHEMBL19363798 0.70 MPO (0.64) MPOOPRM1OPRD1OPRK1EPX
SCHEMBL19358579 0.68 MPO (0.80) MPOEPX
SCHEMBL19358459 0.68 MPO (0.80) MPOEPX
SCHEMBL22433068 0.68 MPO (0.56) MPO
SCHEMBL19358433 0.68 MPO (0.68) MPOEPX

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
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
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