SCHEMBL7370826

SCHEMBL7370826

COc1ccc(CN(OCCC=C=O)C(=O)OCc2ccccc2)cc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.41
DRD4 P21917 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
UTS2R Q9UKP6 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL7377179 0.94 HTR7 (0.41) HTR7POLBMAPK1DRD4HSD17B10
SCHEMBL8541317 0.93 DRD2 (0.41) HTR7POLBMAPK1DRD4KDM4E
SCHEMBL7373473 0.87 HTR7 (0.45) HTR7POLBMAPK1DRD4HSD17B10
SCHEMBL8489110 0.83 MAPK1 (0.51) HTR7POLBMAPK1DRD4KMT2A
SCHEMBL8491631 0.80 MAPK1 (0.51) HTR7POLBMAPK1DRD4SMN1; SMN2
SCHEMBL8487210 0.80 HTR7 (0.44) HTR7POLBMAPK1DRD4NPC1
SCHEMBL8488822 0.80 DRD2 (0.43) HTR7POLBMAPK1DRD4KDM4E
SCHEMBL7367424 0.79 HTR1A (0.42) HTR7DRD2DRD3
SCHEMBL7373095 0.78 MAPK1 (0.46) HTR7POLBMAPK1DRD4SMN1; SMN2
SCHEMBL7372515 0.74 MAPK1 (0.44) HTR7POLBMAPK1DRD4DRD2

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
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed