SCHEMBL11224937

SCHEMBL11224937

CCN1CCCC(O)(c2cccc3[nH]ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.43
DRD4 P21917 6/20 0.43
DRD2 P14416 5/20 0.43
GAA P10253 2/20 0.36
ADRB1 P08588 1/20 0.35
HTR6 P50406 1/20 0.35
MAPK14 Q16539 1/20 0.34
CNR2 P34972 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL11140740 0.91 DRD3 (0.43) DRD3DRD4DRD2GAA
SCHEMBL11134587 0.85 DRD2 (0.43) DRD3DRD4DRD2CNR2OPRM1
SCHEMBL11136336 0.85 DRD4 (0.51) DRD3DRD4DRD2GAAMAPK14
SCHEMBL11131756 0.85 DRD3 (0.41) DRD3DRD4DRD2GAAADRB1
SCHEMBL10675284 0.85 DRD4 (0.46) DRD3DRD4DRD2GAAADRB1
Hydrochloric Acid SCHEMBL11220155 0.84 DRD4 (0.50) DRD3DRD4DRD2GAAMAPK14
SCHEMBL11131906 0.84 ADRB1 (0.37) DRD3DRD4DRD2GAAADRB1
SCHEMBL11223325 0.83 SLC6A3 (0.42) DRD3DRD4DRD2MAPK14L3MBTL1
SCHEMBL10674194 0.78 DRD3 (0.45) DRD3DRD4DRD2OPRM1
SCHEMBL7951002 0.75 DRD2 (0.41) DRD3DRD4DRD2GAAADRB1

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-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US disclosed