SCHEMBL23225723

SCHEMBL23225723

CCN(C)C(O)OCSc1nc(=O)c2[nH]ccc2n1CCOC(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.45
▸ MPO P05164 1/20 0.45
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23225605 0.85 OPRM1 (0.44) OPRM1MPOLMNAPOLBTSHR
SCHEMBL23225647 0.84 OPRM1 (0.46) OPRM1MPOLMNAPOLBTSHR
SCHEMBL23225646 0.83 OPRM1 (0.45) OPRM1MPOLMNAPOLBTSHR
SCHEMBL23217973 0.81 OPRM1 (0.43) OPRM1MPOLMNAPOLBTSHR
SCHEMBL23217941 0.77 OPRM1 (0.40) OPRM1MPOLMNAPOLBTSHR
SCHEMBL23217928 0.76 OPRM1 (0.47) OPRM1MPOLMNATSHR
SCHEMBL23218008 0.75 OPRM1 (0.46) OPRM1MPOLMNAPOLBTSHR
Verdiperstat SCHEMBL23225670 0.73 MPO (0.58) OPRM1MPO
SCHEMBL27148100 0.66 OPRM1 (0.51) OPRM1MPOLMNAMEN1KMT2A
SCHEMBL23225648 0.64 LMNA (0.32) LMNAPOLBTSHR

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-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 — — WO disclosed
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