SCHEMBL7960076

SCHEMBL7960076

NNC(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.70
ADRA1A P35348 2/20 0.70
DRD4 P21917 2/20 0.63
DRD3 P35462 2/20 0.63
MEN1 O00255 1/20 0.63
CACNA1F O60840 1/20 0.63
KCNK2 O95069 1/20 0.63
ABCB11 O95342 1/20 0.63
CYP1A2 P05177 1/20 0.63
ADRB2 P07550 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM4 P08173 1/20 0.63
ABCB1 P08183 1/20 0.63
CYP3A4 P08684 1/20 0.63
HTR1A P08908 1/20 0.63
CHRM5 P08912 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
CHRM1 P11229 1/20 0.63
CYP2C9 P11712 1/20 0.63

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
SCHEMBL7960236 0.88 DRD2 (0.63) DRD2ADRA1ADRD4DRD3
SCHEMBL7949623 0.88 DRD2 (0.63) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL7949044 0.86 DRD2 (0.59) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL7957165 0.86 DRD2 (0.66) DRD2ADRA1AABCB11CYP3A4CYP2D6
SCHEMBL7957459 0.84 MEN1 (0.58) DRD2ADRA1AMEN1KMT2A
SCHEMBL7963905 0.84 DRD2 (0.59) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL20254427 0.83 DRD2 (0.74) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL7964044 0.82 DRD2 (0.53) DRD2ADRA1ADRD4DRD3
Chlorohaloperidol SCHEMBL4112719 0.82 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL7961473 0.82 DRD2 (0.58) DRD2ADRA1ADRD4DRD3MEN1

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