SCHEMBL8487281

SCHEMBL8487281

CCCONCc1ccc(OC)c(N2CCN(C=O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 3/20 0.38
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8487873 0.86 DRD2 (0.46) HTR1ADRD2HTR6POLBHTR7
SCHEMBL8485597 0.83 MAPK1 (0.52) DRD2HTR7DRD3DRD4KDM4E
SCHEMBL7372124 0.75 HTR6 (0.43) HTR1ADRD2HTR6POLBHTR7
SCHEMBL7373095 0.73 MAPK1 (0.46) DRD2POLBHTR7DRD3DRD4
SCHEMBL7372515 0.71 MAPK1 (0.44) DRD2POLBHTR7DRD3DRD4
SCHEMBL7366955 0.70 HTR6 (0.43) HTR1ADRD2HTR6POLBHTR7
SCHEMBL29786225 0.69 DRD2 (0.67) GAAHTR1ADRD2HTR6DRD3
SCHEMBL1030637 0.69 DRD2 (0.67) GAAHTR1ADRD2HTR6DRD3
SCHEMBL27524294 0.68 HPGD (0.49) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL7370433 0.68 MAPK1 (0.49) DRD2POLBHTR7DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed