SCHEMBL8844795

SCHEMBL8844795

O=C1CCc2c(Cl)cccc2N1CCCCl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.44
▸ DRD2 P14416 4/20 0.44
▸ DRD4 P21917 4/20 0.44
▸ DRD3 P35462 4/20 0.44
▸ NOTUM Q6P988 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ TSHR P16473 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
SCHEMBL4102464 0.84 SIGMAR1 (0.43) SIGMAR1DRD2DRD4DRD3CHRM2
SCHEMBL8844806 0.82 NOTUM (0.39) DRD2DRD4DRD3NOTUM
SCHEMBL8844567 0.81 SIGMAR1 (0.62) SIGMAR1DRD2DRD4DRD3
SCHEMBL8844968 0.81 SIGMAR1 (0.41) SIGMAR1DRD2DRD4DRD3CHRM2
SCHEMBL1764174 0.80 SIGMAR1 (0.43) SIGMAR1DRD2DRD4DRD3CHRM2
SCHEMBL8844575 0.80 SIGMAR1 (0.50) SIGMAR1DRD2DRD4DRD3CHRM2
SCHEMBL8845329 0.78 SIGMAR1 (0.48) SIGMAR1DRD2DRD4DRD3
SCHEMBL4091274 0.77 DRD2 (0.63) POLBDRD2DRD4DRD3CHRM2
SCHEMBL1764370 0.77 SIGMAR1 (0.61) SIGMAR1DRD2DRD4DRD3
SCHEMBL8845394 0.77 TSHR (0.44) SIGMAR1CHRM1TSHR

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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