SCHEMBL18901630

SCHEMBL18901630

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
HSD11B1 P28845 9/20 0.40
MAOB P27338 2/20 0.38
KDM1A O60341 1/20 0.38
CTSK P43235 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL9912601 0.75 ALDH1A1 (0.33) KMT2AL3MBTL1MEN1
SCHEMBL18699929 0.73 BTK (0.37) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL25554246 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL25568447 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL21576710 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL28545540 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL26979888 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL25568444 0.72 BTK (0.45) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL15542266 0.70 BTK (0.44) BTKHSD11B1MAOBKDM1ACTSK
SCHEMBL15542263 0.70 BTK (0.44) BTKHSD11B1MAOBKDM1ACTSK

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