SCHEMBL7657954

SCHEMBL7657954

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(OCc4ccccc4)cc23)nc2cc3c(cc21)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
SRD5A2 P31213 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL7664668 0.99 MAOB (0.40) MAOBMAOAEGFRIGF1RFLT4
SCHEMBL7663926 0.95 CNR1 (0.37) MAOBMAOAEGFRIGF1RFLT4
SCHEMBL7661734 0.94 MAOB (0.38) MAOBMAOAIGF1RKDM4EMEN1
SCHEMBL7658242 0.91 MAOB (0.38) MAOBEGFRIGF1RFLT4KDR
SCHEMBL7662560 0.89 PDE4B (0.40) HTR6
SCHEMBL7657833 0.88 MAOB (0.36) MAOBEGFRIGF1RFLT4KDR
SCHEMBL7664149 0.88 CAMK2D (0.41) KDR
SCHEMBL7662842 0.87 PDE4B (0.40) RXRA
SCHEMBL7666596 0.87 BDKRB2 (0.33)
SCHEMBL8362233 0.87 CAMK2D (0.38) MAOBEGFRIGF1RFLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed