SCHEMBL2420804

SCHEMBL2420804

CC(C)(C)OC(=O)N(CO)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ASGR1 P07306 1/20 0.35
NR1H2 P55055 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HSD11B1 P28845 2/20 0.34
CCR5 P51681 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL27510109 0.91 EPHX1 (0.39) DPP4HSD11B1EPHX1
SCHEMBL15285331 0.87 CA14 (0.36) DPP4HDAC6HDAC1HDAC2NFKB1
SCHEMBL361549 0.87
SCHEMBL3824368 0.86 CCR5 (0.42) DPP4HDAC6HDAC1HDAC2NFKB1
SCHEMBL2714117 0.85 DPP4 (0.36) DPP4HDAC6HDAC1HDAC2NFKB1
Hydrochloric Acid SCHEMBL3021166 0.85
SCHEMBL857116 0.85 DPP4 (0.37) DPP4HDAC6HDAC1HDAC2NFKB1
SCHEMBL1369330 0.84 REN (0.35) DPP4HDAC6HDAC1HDAC2NFKB1
SCHEMBL4914499 0.84 CA14 (0.37) DPP4HDAC6HDAC1HDAC2NFKB1
SCHEMBL22308421 0.83 DPP4 (0.33) DPP4HDAC6HDAC1HDAC2NFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384502-B Cycloalkyl-substituted amide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2022-11-08 CN disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
EP-2763976-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-2549990-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-01-30 EP disclosed
WO-2011119759-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2011-09-29 WO disclosed