SCHEMBL9688657

SCHEMBL9688657

NCCc1ccc(O)c2[nH][nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
TAAR1 Q96RJ0 1/20 0.39
HTR2C P28335 1/20 0.37
BACE1 P56817 1/20 0.37
NEK1 Q96PY6 6/20 0.36
MEN1 O00255 2/20 0.36
RAD52 P43351 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAPDH P04406 1/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
HMGB1 P09429 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9689688 0.76 HTR2A (0.44) TAAR1NEK1KDM4E
SCHEMBL9687778 0.76 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688749 0.72 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
Bromide SCHEMBL7839908 0.71 DRD2 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9687820 0.70 TAAR1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3604418 0.69 ADRB2 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4740762 0.68 ADRB2 (0.52) DRD2DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL1246333 0.68 ADRB2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5463172 0.68 TAAR1 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31742617 0.67 HTR2C (0.60) DRD1DRD3TAAR1HTR2CRECQL

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