SCHEMBL4965217

SCHEMBL4965217

CC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
P2RX7 Q99572 1/20 0.49
HDAC4 P56524 1/20 0.49
TRPA1 O75762 8/20 0.46
AVPR1A P37288 1/20 0.45
HSD11B1 P28845 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4962351 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL5200569 0.79 TRPA1 (0.46) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL4963409 0.78 TRPA1 (0.52) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL4963420 0.78 TRPA1 (0.52) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL2789737 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL25460855 0.76 HDAC4 (0.55) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL24180974 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL3553242 0.74 HDAC4 (0.62) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL3762939 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL24180973 0.74 HTT (0.58) SMN1; SMN2ALDH1A1GAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed