SCHEMBL18619693

SCHEMBL18619693

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.56
▸ OPRM1 P35372 8/20 0.45
▸ OPRK1 P41145 8/20 0.45
▸ CTSD P07339 3/20 0.43
▸ CTSE P14091 3/20 0.43
▸ BACE1 P56817 3/20 0.43
▸ REN P00797 1/20 0.43
▸ NMUR2 Q9GZQ4 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.41
▸ CMA1 P23946 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL18619697 1.00 MALT1 (0.56) MALT1OPRM1OPRK1CTSDCTSE
SCHEMBL18619638 0.91 MALT1 (0.57) MALT1OPRM1OPRK1RENNMUR2
SCHEMBL22209395 0.90 MALT1 (0.52) MALT1OPRM1OPRK1NMUR2NMUR1
SCHEMBL18619604 0.90 MALT1 (0.52) MALT1OPRM1OPRK1NMUR2NMUR1
SCHEMBL18619694 0.88 MALT1 (0.65) MALT1OPRM1OPRK1CTSDCTSE
SCHEMBL18620806 0.88 MALT1 (0.65) MALT1OPRM1OPRK1CTSDCTSE
SCHEMBL22209365 0.86 MALT1 (0.64) MALT1CMA1
SCHEMBL22811073 0.86 MALT1 (0.64) MALT1CMA1
SCHEMBL18621052 0.86 MALT1 (0.64) MALT1CMA1
SCHEMBL18619572 0.86 MALT1 (0.64) MALT1CMA1

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-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 — — WO disclosed
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