SCHEMBL4790044

SCHEMBL4790044

O=C(Nc1cc(-c2cccs2)ccc1NI)c1ccc(CN2CCC(Nc3cccnc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.53
HTR2A P28223 11/20 0.53
DRD2 P14416 12/20 0.52
HDAC1 Q13547 5/20 0.47

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
SCHEMBL4579442 0.93 DRD4 (0.54) DRD4HTR2ADRD2HDAC1
SCHEMBL4578949 0.91 HDAC1 (0.58) DRD4HTR2ADRD2HDAC1
SCHEMBL4578946 0.91 HDAC1 (0.58) DRD4HTR2ADRD2HDAC1
SCHEMBL14155917 0.89 DRD4 (0.49) DRD4HTR2ADRD2HDAC1
SCHEMBL4789471 0.84 DRD4 (0.48) DRD4HTR2ADRD2HDAC1
SCHEMBL4579458 0.81 DRD4 (0.57) DRD4HTR2ADRD2
SCHEMBL4578634 0.78 HDAC1 (0.69) HDAC1
SCHEMBL4578628 0.78 HDAC1 (0.69) HDAC1
SCHEMBL4580902 0.75 DRD4 (0.57) DRD4HTR2ADRD2HDAC1
SCHEMBL4578400 0.74 HDAC1 (0.69) DRD4HTR2ADRD2HDAC1

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
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed