SCHEMBL18620806

SCHEMBL18620806

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 4/20 0.65
▸ OPRM1 P35372 6/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ EPHA2 P29317 2/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ APLNR P35414 1/20 0.46
▸ REN P00797 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ CTSD P07339 2/20 0.45
▸ CTSE P14091 2/20 0.45
▸ BACE1 P56817 2/20 0.45

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
SCHEMBL18619694 1.00 MALT1 (0.65) MALT1OPRM1OPRK1EPHA2CMA1
SCHEMBL22209500 0.95 MALT1 (0.69) MALT1OPRM1OPRK1EPHA2CMA1
SCHEMBL18621052 0.93 MALT1 (0.64) MALT1EPHA2CMA1
SCHEMBL22811073 0.93 MALT1 (0.64) MALT1EPHA2CMA1
SCHEMBL18619572 0.93 MALT1 (0.64) MALT1EPHA2CMA1
SCHEMBL22209365 0.93 MALT1 (0.64) MALT1EPHA2CMA1
SCHEMBL18619638 0.93 MALT1 (0.57) MALT1OPRM1OPRK1RENNMUR2
SCHEMBL22209378 0.91 MALT1 (0.61) MALT1EPHA2CMA1
SCHEMBL18619579 0.91 MALT1 (0.61) MALT1EPHA2CMA1
SCHEMBL22811450 0.91 MALT1 (0.67) MALT1CMA1RENCTSDCTSE

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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