SCHEMBL2449028

SCHEMBL2449028

CC(O)(c1cc(F)cc(F)c1)C(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CHRM3 P20309 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL2456934 0.88 RAPGEF4 (0.33)
SCHEMBL318939 0.74 CA12 (0.41) SLC6A3CA12CA1CA9CHRM3
SCHEMBL25485523 0.74 CA12 (0.41) SLC6A3CA12CA1CA9CHRM3
SCHEMBL2460935 0.74 MEN1 (0.38) SLC6A3CHRM3CES2CES1
SCHEMBL24030011 0.69 MEN1 (0.37) SLC6A3CA12CA1CA9CHRM3
SCHEMBL25489570 0.68 CA12 (0.45) CA12CA1CA9CHRM3CES2
SCHEMBL19225328 0.68 CA12 (0.45) CA12CA1CA9CHRM3CES2
SCHEMBL179354 0.68 GABRA1 (0.46) SLC6A3CA12CA1CA9CES2
SCHEMBL16105792 0.68 ALOX15 (0.40) SLC6A3CA12CA1CA9CHRM3
SCHEMBL8906633 0.67 CHRM3 (0.36) SLC6A3CA12CA1CA9CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 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-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO 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