SCHEMBL18621121

SCHEMBL18621121

C=C(N[C@@H](CCCNC(=N)N)C(=O)CF)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.49
▸ CTSK P43235 7/20 0.44
▸ CTSL P07711 4/20 0.44
▸ CTSS P25774 3/20 0.44
▸ TGM2 P21980 2/20 0.44
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 6/20 0.44
▸ REN P00797 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ ACE P12821 2/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL18619638 0.93 MALT1 (0.57) MALT1CTSKCTSLCTSSOPRM1
SCHEMBL18619694 0.86 MALT1 (0.65) MALT1OPRM1OPRK1REN
SCHEMBL18620806 0.86 MALT1 (0.65) MALT1OPRM1OPRK1REN
SCHEMBL18619636 0.85 MALT1 (0.55) MALT1OPRM1OPRK1RENDPP4
SCHEMBL22209464 0.85 MALT1 (0.57) MALT1OPRM1OPRK1RENDPP4
SCHEMBL18619693 0.84 MALT1 (0.56) MALT1OPRM1OPRK1RENDPP4
SCHEMBL18619697 0.84 MALT1 (0.56) MALT1OPRM1OPRK1RENDPP4
SCHEMBL18619642 0.84 MALT1 (0.55) MALT1OPRM1OPRK1RENDPP4
SCHEMBL22811073 0.84 MALT1 (0.64) MALT1
SCHEMBL22209365 0.84 MALT1 (0.64) MALT1

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-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 — — WO disclosed
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