SCHEMBL18619642

SCHEMBL18619642

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 4/20 0.55
▸ OPRM1 P35372 6/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ ACE P12821 1/20 0.40
▸ REN P00797 1/20 0.40
▸ PREP P48147 2/20 0.40
▸ EPHA2 P29317 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
SCHEMBL22209464 0.90 MALT1 (0.57) MALT1OPRM1OPRK1DPP4DPP8
SCHEMBL22209365 0.89 MALT1 (0.64) MALT1CMA1EPHA2
SCHEMBL22811073 0.89 MALT1 (0.64) MALT1CMA1EPHA2
SCHEMBL18619572 0.89 MALT1 (0.64) MALT1CMA1EPHA2
SCHEMBL18621052 0.89 MALT1 (0.64) MALT1CMA1EPHA2
SCHEMBL18619638 0.88 MALT1 (0.57) MALT1OPRM1OPRK1DPP4DPP8
SCHEMBL18619636 0.87 MALT1 (0.55) MALT1OPRM1OPRK1DPP4DPP8
SCHEMBL18619626 0.87 MALT1 (0.59) MALT1DPP4DPP8DPP9DPP7
SCHEMBL22209378 0.87 MALT1 (0.61) MALT1DPP4DPP8DPP9DPP7
SCHEMBL18619570 0.87 MALT1 (0.55) MALT1OPRM1OPRK1DPP4DPP8

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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