SCHEMBL11068828

SCHEMBL11068828

Cc1ccccc1C1CCN(CCCOc2cccc3c2CCC(=O)N3)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
DRD2 P14416 7/20 0.48
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2A P28223 4/20 0.42
OPRM1 P35372 3/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
OPRL1 P41146 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR6 P50406 1/20 0.41
HTR1A P08908 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL11065159 0.89 SCN1A (0.49) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL11073435 0.86 HTR7 (0.48) SCN1ASCN5ASCN9ADRD2CYP2D6
Hydrochloric Acid SCHEMBL11070539 0.85 HTR7 (0.47) SCN1ASCN5ASCN9ADRD2DRD4
SCHEMBL11066472 0.84 DRD2 (0.43) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL11070047 0.82 DRD2 (0.51) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL11068502 0.82 DRD2 (0.47) DRD2HTR2ADRD4DRD3HTR1A
Iodide SCHEMBL11073338 0.81 ADRB2 (0.39) SCN1ASCN5ASCN9ADRD2DRD4
SCHEMBL11065044 0.80 MAOA (0.61) DRD2DRD4DRD3MAOAMAOB
Hydrochloric Acid SCHEMBL11406538 0.80 DRD2 (0.50) DRD2DRD4DRD3HTR1AMAOA
SCHEMBL6108202 0.80 MAOA (0.58) CYP2D6CYP2C19MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed