SCHEMBL7964044

SCHEMBL7964044

Cc1cc(Cl)ccc1C1(O)CCN(CCCC(=O)NN)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.53
DRD4 P21917 4/20 0.51
DRD3 P35462 4/20 0.51
ALDH1A1 P00352 1/20 0.50
ADRA1A P35348 1/20 0.48

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
SCHEMBL7961473 0.88 DRD2 (0.58) DRD2DRD4DRD3ADRA1A
SCHEMBL7964042 0.84 DRD2 (0.46) DRD2DRD4DRD3
SCHEMBL7960076 0.82 DRD2 (0.70) DRD2DRD4DRD3ADRA1A
SCHEMBL7957165 0.81 DRD2 (0.66) DRD2ADRA1A
SCHEMBL7961381 0.81 DRD2 (0.64) DRD2DRD4DRD3ADRA1A
SCHEMBL7949532 0.79 DRD2 (0.66) DRD2DRD4DRD3ADRA1A
SCHEMBL7960236 0.78 DRD2 (0.63) DRD2DRD4DRD3ADRA1A
SCHEMBL7957634 0.78 ALDH1A1 (0.50) DRD2DRD4DRD3ALDH1A1
SCHEMBL7949044 0.77 DRD2 (0.59) DRD2DRD4DRD3ADRA1A
SCHEMBL7959913 0.77 DRD2 (0.52) DRD2ALDH1A1

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
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed