SCHEMBL8809922

SCHEMBL8809922

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCNC(=O)c2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.77
DRD2 P14416 6/20 0.77
DRD3 P35462 6/20 0.77
HTR4 Q13639 9/20 0.64

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
SCHEMBL7391647 0.95 DRD2 (0.74) DRD4DRD2DRD3HTR4
SCHEMBL7387477 0.95 DRD2 (0.74) DRD4DRD2DRD3HTR4
SCHEMBL7390296 0.95 DRD2 (0.74) DRD4DRD2DRD3HTR4
SCHEMBL7383596 0.94 DRD2 (0.73) DRD4DRD2DRD3HTR4
SCHEMBL7389753 0.94 DRD2 (0.72) DRD4DRD2DRD3HTR4
SCHEMBL7385997 0.93 DRD2 (0.75) DRD4DRD2DRD3HTR4
SCHEMBL7391906 0.90 HTR4 (0.69) DRD4DRD2DRD3HTR4
SCHEMBL7387356 0.89 DRD4 (0.73) DRD4DRD2DRD3HTR4
SCHEMBL7391450 0.89 HTR4 (0.69) DRD4DRD2DRD3HTR4
SCHEMBL7390648 0.89 DRD2 (0.71) DRD4DRD2DRD3HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed