SCHEMBL21822181

SCHEMBL21822181

N=C(N)c1ccc2cc(C(=O)NC3CCC(F)(F)CC3)n(Cc3ccc(NCCCN)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ F2 P00734 8/20 0.39
▸ PRSS1 P07477 6/20 0.39
▸ ST14 Q9Y5Y6 2/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37

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
SCHEMBL21822424 0.91 F10 (0.44) F10ITGB3ITGA2BF2
SCHEMBL25017861 0.89 F10 (0.45) F10ITGB3ITGA2BF2PRSS1
SCHEMBL25017373 0.89 F10 (0.46) F10ITGB3ITGA2BF2PRSS1
SCHEMBL21822135 0.86 ITGB3 (0.40) F10ITGB3ITGA2BF2PRSS1
SCHEMBL25016803 0.86 F10 (0.47) F10ITGB3ITGA2BF2PRSS1
SCHEMBL25017234 0.86 F10 (0.49) F10ITGB3ITGA2BF2PRSS1
SCHEMBL25016802 0.83 ACKR3 (0.45) F10ITGB3ITGA2BF2PRSS1
SCHEMBL21822498 0.83 F10 (0.57) F10F2
SCHEMBL28580200 0.80 F10 (0.42) F10F2PRSS1ST14
SCHEMBL25017867 0.78 F2 (0.57) F10ITGB3ITGA2BF2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
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