SCHEMBL2449023

SCHEMBL2449023

COC1(c2cccc(F)c2F)CN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
BCHE P06276 1/20 0.34
OPRM1 P35372 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KIF11 P52732 1/20 0.33
LMNA P02545 1/20 0.33
USP30 Q70CQ3 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM4 P08173 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL2528384 0.89 HDAC4 (0.40) HDAC4HPGDEPHX2HDAC3HDAC1
SCHEMBL1330931 0.83 GPR119 (0.43) HDAC4USP30ALDH1A1
SCHEMBL2455462 0.79 HDAC4 (0.44) HDAC4HPGDCES2CES1BCHE
SCHEMBL2530292 0.77 SOS1 (0.36) EPHX2ALDH1A1
SCHEMBL1329710 0.77 HDAC4 (0.33) HDAC4OPRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30149944 0.76 GPR119 (0.43) HDAC1HDAC2HDAC6USP30
SCHEMBL2424588 0.76 GPR119 (0.43) HDAC1HDAC2HDAC6USP30
SCHEMBL28355845 0.75 HDAC4 (0.39) HDAC4HPGDEPHX2OPRM1HDAC3
Pirepemat SCHEMBL28355846 0.73 HDAC4 (0.40) HDAC4CES2CES1BCHEOPRM1
SCHEMBL28883049 0.73 HDAC4 (0.38) HDAC4HPGDEPHX2OPRM1HDAC3

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-2367785-B1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-10-15 EP disclosed
EP-2367785-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058017-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO disclosed