SCHEMBL7370820

SCHEMBL7370820

COc1ccc(CNC(=O)OCc2ccccc2)cc1OCCCC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
FAAH O00519 1/20 0.48
HTR7 P34969 1/20 0.47
TP53 P04637 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL7377172 0.97 CACNA1F (0.54) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7377490 0.92 CACNA1F (0.50) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7373471 0.90 ALDH1A1 (0.55) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7372518 0.89 ALDH1A1 (0.53) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL7372045 0.88 ALDH1A1 (0.54) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7370262 0.86 KMT2A (0.51) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7374972 0.85 ALDH1A1 (0.51) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL7371473 0.84 KMT2A (0.50) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL7373089 0.84 CACNA1F (0.55) CACNA1FADORA3OPRM1OPRK1CACNA1D
SCHEMBL7370042 0.83 HTT (0.54) MEN1KMT2ATSHRSMN1; SMN2TP53

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