SCHEMBL9688469

SCHEMBL9688469

CCCN(CCC)CCc1cc(O)c2[nH]nc(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PMP22 Q01453 1/20 0.49
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL9688860 0.84 SIGMAR1 (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9688873 0.76 TAAR1 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9688869 0.75 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9689443 0.69 HTR1A (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29368857 0.67 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL467093 0.67 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL4305739 0.66 DRD2 (0.96) DRD2DRD3DRD1DRD4DRD5
Bromide SCHEMBL1321255 0.66 KDM4E (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10410200 0.64 DRD2 (0.73) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9689265 0.64 HTR1A (0.48) DRD2DRD3DRD1DRD4DRD5

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