SCHEMBL18901529

SCHEMBL18901529

CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
CTSK P43235 2/20 0.43
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
EPHX1 P07099 1/20 0.38
HSD11B1 P28845 5/20 0.37
EPHX2 P34913 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP2C9 P11712 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL14100893 1.00 BTK (0.49) BTKCTSKKDM1AMAOBCA1
SCHEMBL31645383 0.91 BTK (0.54) BTKCTSKKDM1AMAOBCA1
SCHEMBL31645005 0.91 BTK (0.54) BTKCTSKKDM1AMAOBCA1
SCHEMBL28245170 0.91 BTK (0.54) BTKCTSKKDM1AMAOBCA1
SCHEMBL16665211 0.91 BTK (0.54) BTKCTSKKDM1AMAOBCA1
SCHEMBL31645007 0.91 BTK (0.54) BTKCTSKKDM1AMAOBCA1
SCHEMBL6418270 0.91 BTK (0.51) BTKCTSKKDM1AMAOBCA1
SCHEMBL19547113 0.87 BTK (0.50) BTKCTSKKDM1AMAOBCA1
SCHEMBL14599275 0.87 BTK (0.44) BTKCTSKKDM1AMAOBCA1
SCHEMBL9253646 0.82 BTK (0.49) BTKCTSKKDM1AMAOBCA1

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-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed