SCHEMBL4777640

SCHEMBL4777640

CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.59
DRD4 P21917 13/20 0.59
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.54
MCHR1 Q99705 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL5567872 1.00 DRD2 (0.59) DRD2DRD4ALDH1A1POLBMEN1
SCHEMBL4777708 0.81 MEN1 (0.49) DRD2DRD4ALDH1A1POLBMEN1
SCHEMBL11463735 0.80 DRD2 (0.75) DRD2DRD4MEN1KMT2AMCHR1
SCHEMBL7694199 0.77 DRD2 (0.85) DRD2DRD4MCHR1HTR2A
SCHEMBL7694198 0.77 DRD2 (0.85) DRD2DRD4MCHR1HTR2A
SCHEMBL4768069 0.75 GAA (0.64) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL11555632 0.75 DRD2 (0.82) DRD2DRD4MCHR1HTR2A
SCHEMBL8707354 0.75 DRD2 (1.00) DRD2DRD4MCHR1HTR2A
SCHEMBL8706290 0.75 DRD2 (1.00) DRD2DRD4MCHR1HTR2A
SCHEMBL4777534 0.75 USP30 (0.52) ALDH1A1MEN1KMT2A

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed