SCHEMBL7792297

SCHEMBL7792297

CCCOc1cc(OCCC)c2c(c1N)C(=O)c1cccc(OCCN3CCOCC3)c1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
MAOB P27338 1/20 0.43
MAPK14 Q16539 1/20 0.42
FLT3 P36888 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7786118 1.00 KDM4E (0.46) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7792051 0.97 KDM4E (0.44) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7786497 0.97 KDM4E (0.44) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7786092 0.96 HTR2C (0.46) KDM4EBRD4ADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL7786123 0.95 HTR2C (0.45) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7794708 0.95 USP2 (0.47) KDM4EFLT3HTR2BTSHRKMT2A
SCHEMBL7792725 0.95 KDM4E (0.45) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7794702 0.94 KDM4E (0.46) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7795930 0.94 KDM4E (0.46) KDM4EBRD4ADORA2AADORA1ADORA3
SCHEMBL7796105 0.92 HTR2C (0.48) KDM4EBRD4ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed