SCHEMBL19363798

SCHEMBL19363798

NNc1nc(N)cc(C(CCNC23CCC(c4ccccc4)(CC2)CC3)c2ccn(CCc3cccc(O)c3)n2)c1N

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 13/20 0.64
▸ EPX P11678 1/20 0.43
▸ TPO P07202 1/20 0.33
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL19363910 0.93 MPO (0.74) MPOEPXTPO
SCHEMBL19363911 0.78 MPO (0.78) MPOEPXTPO
SCHEMBL19381400 0.77 MPO (0.57) MPOEPXTPO
SCHEMBL19363796 0.77 MPO (0.54) MPOEPXTPOOPRM1OPRD1
SCHEMBL22433098 0.76 MPO (0.56) MPOEPXTPOOPRM1OPRD1
SCHEMBL19363797 0.70 MPO (0.49) MPOEPXOPRM1OPRD1OPRK1
SCHEMBL19364095 0.69 MPO (0.55) MPO
SCHEMBL19363914 0.69 MPO (0.79) MPO
SCHEMBL19358433 0.67 MPO (0.68) MPOEPX
SCHEMBL19380881 0.66 MPO (0.46) MPOTPO

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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