SCHEMBL15834382

SCHEMBL15834382

NC(=O)[C@H](CCc1ccc(CCCCNC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.59
▸ CTSL P07711 1/20 0.54
▸ FOLH1 Q04609 2/20 0.53
▸ HTT P42858 1/20 0.52
▸ CASP1 P29466 2/20 0.52
▸ TGM2 P21980 2/20 0.51
▸ TPSAB1 Q15661 2/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL15834361 0.93 SIRT2 (0.55) SIRT2CTSLFOLH1HTTCASP1
SCHEMBL15804488 0.91 HTT (0.52) SIRT2FOLH1HTTTGM2
SCHEMBL15802458 0.91 MAPT (0.58) SIRT2CTSLFOLH1
SCHEMBL15804479 0.88 SIRT2 (0.63) SIRT2CTSLCASP1TGM2SIRT1
SCHEMBL15834298 0.87 SIRT2 (0.55) SIRT2CTSLFOLH1HTTTGM2
SCHEMBL15802460 0.86 DPP8 (0.56) FOLH1HTTTGM2
SCHEMBL15834326 0.86 SIRT2 (0.52) SIRT2CTSLFOLH1HTTTGM2
SCHEMBL15834383 0.85 HTT (0.53) SIRT2FOLH1HTTTGM2
SCHEMBL15802558 0.85 MAPT (0.54) SIRT2CTSLFOLH1CASP1TGM2
SCHEMBL17194114 0.85 MAPT (0.54) SIRT2CTSLFOLH1CASP1TGM2

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-2014099673-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-26 — — WO disclosed
Send feedback