SCHEMBL5308997

SCHEMBL5308997

O=C1CCc2c(C3OCCO3)cccc2N1CCCBr.O=Cc1cccc2c1CCC(=O)N2CCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.54
▸ CHRM2 P08172 15/20 0.54
▸ CHRM4 P08173 15/20 0.54
▸ CHRM5 P08912 15/20 0.54
▸ CHRM3 P20309 15/20 0.54
▸ DRD2 P14416 11/20 0.54
▸ DRD4 P21917 11/20 0.54
▸ DRD3 P35462 11/20 0.54
▸ ADRB2 P07550 2/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ ADRA1D P25100 2/20 0.54
▸ ADRA1A P35348 2/20 0.54
▸ ADRA1B P35368 2/20 0.54
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL96646 0.87 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL98519 0.79 CHRM1 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11070246 0.66 DRD4 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL95996 0.65 PIM1 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11064440 0.64 DRD4 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL97527 0.64 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL11066728 0.63 MEN1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL97445 0.63 POLB (0.43) —
SCHEMBL6219793 0.63 DRD2 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL97439 0.63 POLB (0.42) HTT

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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
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