SCHEMBL11226658

SCHEMBL11226658

CN1CCCC(O)(c2c[nH]c3ccccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.46
DRD4 P21917 4/20 0.46
DRD2 P14416 3/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.41
TP53 P04637 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
SCHEMBL11131906 0.83 ADRB1 (0.37) DRD3DRD4DRD2HTR6
SCHEMBL7943354 0.73 DRD3 (0.58) DRD3DRD4DRD2MAPTKDM4E
SCHEMBL10994724 0.73 OPRM1 (0.48) DRD4SMN1; SMN2
Hydrochloric Acid SCHEMBL11221310 0.72 CYP2D6 (0.51) DRD3DRD4DRD2MAPTKDM4E
SCHEMBL7859854 0.72 SLC6A4 (0.54) DRD3DRD4DRD2MAPTTP53
SCHEMBL24729172 0.71 MGAM (0.44) MAPTKDM4EATMTP53
SCHEMBL16510074 0.71 OPRM1 (0.53) DRD4
SCHEMBL29651245 0.71 MGAM (0.44) MAPTKDM4EATMTP53
SCHEMBL1413413 0.68 CYP2D6 (0.46) DRD3DRD4DRD2MAPTKDM4E
SCHEMBL22864444 0.68 ATM (0.48) DRD3DRD4DRD2MAPTKDM4E

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