SCHEMBL461225

SCHEMBL461225

O=C(OC1(c2noc(C(Cl)(Cl)Cl)n2)CC1)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR2 O95136 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL458446 0.61 CES2 (0.42) PKMATMSMN1; SMN2NPC1MAPT
SCHEMBL457830 0.60 RAB9A (0.44) PKMATMSMN1; SMN2NPC1MAPT
SCHEMBL17115049 0.59 STAT3 (0.37) MEN1KMT2A
SCHEMBL17100748 0.58 STAT3 (0.42) L3MBTL1NPC1MAPTHTTRAB9A
SCHEMBL17115043 0.58 HDAC6 (0.35)
SCHEMBL248548 0.58 CES2 (0.62) PKMATMSMN1; SMN2NPC1MAPT
SCHEMBL21824569 0.58 HDAC4 (0.41)
SCHEMBL5845934 0.57 ALOX5AP (0.43)
SCHEMBL17115039 0.57 PLAT (0.37) SMN1; SMN2
SCHEMBL2015957 0.57 CES2 (0.54) PKMATMSMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed