SCHEMBL22811071

SCHEMBL22811071

CNc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)OC)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 5/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ PREP P48147 2/20 0.48
▸ ACE P12821 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ ELANE P08246 4/20 0.44
▸ CTRC Q99895 2/20 0.44
▸ MALT1 Q9UDY8 2/20 0.44
▸ CTSG P08311 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
SCHEMBL18620799 0.91 CMA1 (0.52) CMA1TAAR1PREPACEGAA
SCHEMBL22209501 0.88 TAAR1 (0.49) TAAR1PREPACEGAANPC1
SCHEMBL18619644 0.88 TAAR1 (0.49) TAAR1PREPACEGAANPC1
SCHEMBL18621642 0.88 TAAR1 (0.49) CMA1TAAR1PREPACENPC1
SCHEMBL22209497 0.88 TAAR1 (0.49) CMA1TAAR1PREPACENPC1
SCHEMBL22209426 0.87 ACE (0.57) TAAR1PREPACENPC1ELANE
SCHEMBL18620607 0.87 ACE (0.57) TAAR1PREPACENPC1ELANE
SCHEMBL18620796 0.85 TAAR1 (0.47) CMA1TAAR1PREPACENPC1
SCHEMBL22209506 0.84 CCR1 (0.55) TAAR1PREPACENPC1ELANE
SCHEMBL18620675 0.84 CMA1 (0.49) CMA1TAAR1PREPGAAELANE

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
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