SCHEMBL459501

SCHEMBL459501

Cc1ccc(F)c(C2CN(Cc3ccccc3)CC2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
TSHR P16473 1/20 0.40
CHRM4 P08173 1/20 0.40
PDE4B Q07343 1/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
SCN9A Q15858 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL459499 1.00 KMT2A (0.44) KMT2AL3MBTL1SIGMAR1TSHRCHRM4
SCHEMBL147672 0.91 KMT2A (0.48) KMT2AL3MBTL1SIGMAR1CHRM4MEN1
SCHEMBL147670 0.91 KMT2A (0.48) KMT2AL3MBTL1SIGMAR1CHRM4MEN1
SCHEMBL147671 0.91 KMT2A (0.48) KMT2AL3MBTL1SIGMAR1CHRM4MEN1
SCHEMBL462317 0.90 KMT2A (0.43) KMT2AL3MBTL1SIGMAR1PDE4BMEN1
SCHEMBL457234 0.90 KMT2A (0.43) KMT2AL3MBTL1SIGMAR1PDE4BMEN1
SCHEMBL457232 0.90 KMT2A (0.43) KMT2AL3MBTL1SIGMAR1PDE4BMEN1
SCHEMBL462316 0.90 KMT2A (0.43) KMT2AL3MBTL1SIGMAR1PDE4BMEN1
SCHEMBL147898 0.89 L3MBTL1 (0.46) KMT2AL3MBTL1SIGMAR1CHRM4PDE4B
SCHEMBL147896 0.89 L3MBTL1 (0.46) KMT2AL3MBTL1SIGMAR1CHRM4PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed