SCHEMBL27718597

SCHEMBL27718597

O=Cc1cccc2c1CCC(=O)N2CCC1CCN(c2ccccc2-c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 12/20 0.39
▸ CHRM4 P08173 12/20 0.39
▸ CHRM5 P08912 12/20 0.39
▸ CHRM1 P11229 12/20 0.39
▸ CHRM3 P20309 12/20 0.39
▸ DRD2 P14416 8/20 0.39
▸ DRD4 P21917 8/20 0.39
▸ DRD3 P35462 8/20 0.39
▸ ACHE P22303 4/20 0.38
▸ ADRB2 P07550 2/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37

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
SCHEMBL97527 0.90 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL5250258 0.85 DRD2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL5250261 0.84 DRD2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL95580 0.74 POLB (0.50) —
SCHEMBL96646 0.72 CHRM1 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1663701 0.69 CSF1R (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7484378 0.68 CHRM4 (0.37) CHRM4DRD2DRD3ADRA1DADRA1A
SCHEMBL13606955 0.67 CHRM1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1663082 0.67 PTPN1 (0.51) ADRA1DADRA1AADRA1B
SCHEMBL96096 0.66 FAAH (0.43) CHRM5ACHE

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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 — — CN disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 — — CN disclosed
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