SCHEMBL8920666

SCHEMBL8920666

O=C1CCCc2sc(C(=O)CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.57
ADRA1A P35348 2/20 0.57
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
MEN1 O00255 1/20 0.52
CACNA1F O60840 1/20 0.52
KCNK2 O95069 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ABCB1 P08183 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
CYP2C9 P11712 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
SCHEMBL10836979 0.77 DRD2 (0.69) DRD2ADRA1ADRD4DRD3MEN1
Chlorohaloperidol SCHEMBL4112719 0.74 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL8917105 0.73 DRD2 (0.54) DRD2DRD4DRD3HTR1AKMT2A
SCHEMBL9050736 0.71 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL8916424 0.71 MEN1 (0.47) MEN1TSHRSLC6A4CYP2C19KMT2A
SCHEMBL20254427 0.70 DRD2 (0.74) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL11796046 0.69 DRD2 (0.88) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL20254453 0.69 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL20652955 0.69 DRD2 (0.88) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL11796338 0.69 DRD2 (0.88) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed