SCHEMBL8844575

SCHEMBL8844575

CCOc1cccc2c1CCC(=O)N2CCCCl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.50
▸ HTR1A P08908 2/20 0.44
▸ HTR7 P34969 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM1 P11229 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL1764242 0.96 SIGMAR1 (0.49) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL8844567 0.88 SIGMAR1 (0.62) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL1764226 0.88 SIGMAR1 (0.46) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL8845329 0.85 SIGMAR1 (0.48) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL1764370 0.85 SIGMAR1 (0.61) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL4102464 0.81 SIGMAR1 (0.43) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL8844795 0.80 POLB (0.47) SIGMAR1CHRM1DRD2CHRM2CHRM4
SCHEMBL8844660 0.79 SIGMAR1 (0.82) SIGMAR1DRD2DRD4DRD3
SCHEMBL8844968 0.78 SIGMAR1 (0.41) SIGMAR1HTR1AHTR7MEN1CYP1A2
SCHEMBL1764174 0.77 SIGMAR1 (0.43) SIGMAR1CHRM1DRD2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656633-A Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 — — US disclosed
US-5556857-A SIGMA RECEPTOR AGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-17 — — US disclosed
EP-0512525-B1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMA CO LTD (JP) 1994-11-30 — — EP disclosed
EP-0512525-A1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 — — EP disclosed
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