SCHEMBL8445194

SCHEMBL8445194

COc1ccc(CN2CCC(CCCN3C(=O)CCc4ccccc43)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.64
CHRM4 P08173 15/20 0.64
CHRM5 P08912 15/20 0.64
CHRM1 P11229 15/20 0.64
CHRM3 P20309 15/20 0.64
DRD2 P14416 13/20 0.64
DRD4 P21917 13/20 0.64
DRD3 P35462 12/20 0.64
ADRB2 P07550 2/20 0.64
ADRB1 P08588 2/20 0.64
ADRA1D P25100 2/20 0.64
ADRA1A P35348 2/20 0.64
ADRA1B P35368 2/20 0.64
ACHE P22303 1/20 0.51

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
SCHEMBL8443141 0.89 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8445224 0.89 CHRM1 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8442782 0.88 CHRM2 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8443011 0.87 CHRM1 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8442415 0.86 CHRM1 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8442789 0.82 CHRM1 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14601865 0.82 CHRM2 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8445380 0.81 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30100692 0.79 POLB (0.71) DRD2DRD4DRD3
SCHEMBL30100689 0.79 POLB (0.71) DRD2DRD4DRD3

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-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP claimed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed