SCHEMBL9687778

SCHEMBL9687778

CCCN(CCC)CCc1ccc(O)c2[nH][nH]c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD1 P21728 4/20 0.51
DRD4 P21917 4/20 0.51
DRD5 P21918 4/20 0.51
DRD3 P35462 4/20 0.51
HTR1A P08908 2/20 0.48
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
ADRA1A P35348 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PMP22 Q01453 1/20 0.42
HTR1D P28221 1/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9688810 0.77 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688657 0.76 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9689443 0.75 HTR1A (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10641652 0.74 ADRB2 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10750554 0.73 ADRB2 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10751345 0.73 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL10643506 0.73 ADRB2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688882 0.73 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
Bromide SCHEMBL10766376 0.72 DRD2 (0.48) DRD2DRD1DRD4DRD5DRD3
Bromide SCHEMBL10751738 0.72 ADRB2 (0.49) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed