SCHEMBL7329341

SCHEMBL7329341

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
ACHE P22303 2/20 0.41
ADORA2B P29275 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ADORA2A P29274 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ADORA1 P30542 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7326890 0.82 MAPT (0.55) ADORA2BALDH1A1ADORA2AKDM4EMAPT
SCHEMBL9461663 0.76 GAA (0.46) ADORA2BALDH1A1ADORA2AKDM4EMAPT
SCHEMBL9658453 0.73 ESR1 (0.43) ALDH1A1KDM4EMAPTADORA3SMN1; SMN2
SCHEMBL7325184 0.72 HRH3 (0.53) ADORA2BALDH1A1ADORA2AKDM4EMAPT
SCHEMBL8265386 0.72 MAPT (0.50) ADORA2BALDH1A1ADORA2AMAPTHPGD
SCHEMBL22257276 0.71 KMT2A (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10474306 0.71 MAPT (0.65) KDM4EMAPTSMN1; SMN2
SCHEMBL7338149 0.71 LMNA (0.61) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11196264 0.71 KDM4E (0.49) ALDH1A1KDM4EPTPN1
Hydrochloric Acid SCHEMBL20529584 0.70 KMT2A (0.56) ALDH1A1KDM4EMAPTCYP3A4SMN1; SMN2

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