SCHEMBL7326890

SCHEMBL7326890

NCCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 3/20 0.49
PDE3B Q13370 3/20 0.47
PDE3A Q14432 2/20 0.47
ADORA2B P29275 2/20 0.46
ADORA2A P29274 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ADORA1 P30542 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL10474306 0.89 MAPT (0.65) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7338149 0.88 LMNA (0.61) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7362081 0.84 MAPT (0.51) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7337123 0.84 PDE3B (0.46) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8265386 0.84 MAPT (0.50) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7329667 0.84 MAPT (0.55) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7297671 0.82 PDE3B (0.53) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7329341 0.82 FAAH (0.41) MAPTADORA2BADORA2ASMN1; SMN2CYP3A4
SCHEMBL5912716 0.82 MAPT (0.64) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7330323 0.80 MAPT (0.65) MAPTLMNANPY1RNPY2RKMT2A

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-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 EP disclosed