SCHEMBL28588267

SCHEMBL28588267

N#Cc1ccc2cc(C(=O)NC3CCC(N)CC3)n(Cc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 5/20 0.47
▸ PRSS1 P07477 4/20 0.47
▸ PRSS2 P07478 4/20 0.47
▸ PRSS3 P35030 4/20 0.47
▸ CCR9 P51686 2/20 0.47
▸ SCN9A Q15858 3/20 0.46
▸ F10 P00742 4/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.44
▸ F2 P00734 3/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41

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
SCHEMBL28588265 1.00 ST14 (0.47) ST14PRSS1PRSS2PRSS3CCR9
SCHEMBL28583287 0.92 CCR9 (0.46) ST14PRSS1PRSS2PRSS3CCR9
SCHEMBL28583288 0.92 CCR9 (0.46) ST14PRSS1PRSS2PRSS3CCR9
SCHEMBL30180776 0.88 CCR9 (0.50) CCR9SCN9AF10CCR3
SCHEMBL28583333 0.88 CCR9 (0.50) CCR9SCN9AF10CCR3
SCHEMBL28583332 0.88 CCR9 (0.50) CCR9SCN9AF10CCR3
SCHEMBL25017363 0.85 ST14 (0.55) ST14PRSS1PRSS2PRSS3F10
SCHEMBL28582742 0.84 CCR9 (0.53) CCR9F10SMYD3PRKAA2
SCHEMBL28582741 0.84 CCR9 (0.53) CCR9F10SMYD3PRKAA2
SCHEMBL30180499 0.83 CCR9 (0.46) CCR9SCN9AF10PRKAA2

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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