SCHEMBL28580154

SCHEMBL28580154

CCOC(=N)c1ccc2cc(C(=O)N[C@H]3CC[C@H](N)CC3)n(Cc3cccc(N)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.44
▸ SMYD3 Q9H7B4 4/20 0.44
▸ F2 P00734 4/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL28580156 1.00 F10 (0.44) F10SMYD3F2PRSS1PRSS2
SCHEMBL28572149 0.91 F10 (0.45) F10SMYD3F2PRSS1PRSS2
SCHEMBL28572148 0.91 F10 (0.45) F10SMYD3F2PRSS1PRSS2
SCHEMBL25016089 0.89 F10 (0.52) F10SMYD3F2PRSS1PRSS2
SCHEMBL28588635 0.88 SMYD3 (0.47) F10SMYD3F2PRSS1PRSS2
SCHEMBL28588633 0.88 SMYD3 (0.47) F10SMYD3F2PRSS1PRSS2
SCHEMBL31689670 0.87 F10 (0.45) F10SMYD3F2PRSS1PRSS2
SCHEMBL31689686 0.87 SMYD3 (0.46) F10SMYD3F2PRSS1PRSS2
SCHEMBL25017655 0.85 F10 (0.43) F10SMYD3F2DRD4
SCHEMBL28578356 0.85 F10 (0.43) F10SMYD3F2DRD4

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
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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