SCHEMBL9688749

SCHEMBL9688749

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD1 P21728 3/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
DRD3 P35462 3/20 0.46
TAAR1 Q96RJ0 2/20 0.41
BACE1 P56817 1/20 0.39
RECQL P46063 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 2/20 0.38
RAD52 P43351 2/20 0.38
KMT2A Q03164 2/20 0.38
APEX1 P27695 2/20 0.38
BLM P54132 2/20 0.38
GAPDH P04406 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
ALOX15 P16050 2/20 0.37

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
Bromide SCHEMBL7839908 0.98 DRD2 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688894 0.78 HTR1A (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688896 0.75 HTR2A (0.47) TAAR1KDM4EADRA1A
SCHEMBL3604418 0.75 ADRB2 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688810 0.74 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4740762 0.73 ADRB2 (0.52) DRD2DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL1246333 0.73 ADRB2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9688657 0.72 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
Bromide SCHEMBL1683003 0.72 ADRB2 (0.51) DRD2ADRB2
Hydrochloric Acid SCHEMBL1179939 0.72 ADRB2 (0.51) DRD2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992008708-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1992-05-29 WO disclosed
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