SCHEMBL11069074

SCHEMBL11069074

O=C1CCc2c(cccc2OCCN2CCC(O)(c3ccccc3)CC2)N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
LTA4H P09960 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
ABCB1 P08183 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
SCHEMBL11071740 0.95 HTR7 (0.50) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11070967 0.94 DRD2 (0.53) HTR7DRD2DRD4DRD3SIGMAR1
SCHEMBL11070311 0.89 ADRB2 (0.44) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11063280 0.87 DRD2 (0.53) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11071326 0.86 DRD2 (0.47) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11071420 0.86 DRD2 (0.47) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11065769 0.86 DRD2 (0.58) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11064990 0.84 DRD2 (0.51) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11070769 0.84 DRD2 (0.44) HTR7DRD2DRD4DRD3ADRB2
SCHEMBL11068604 0.84 KCNH2 (0.53) HTR7DRD2DRD4DRD3HTR1A

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