SCHEMBL7792004

SCHEMBL7792004

CCCOc1cc(OCCCN2CCCCC2)c(N)c2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
HRH3 Q9Y5N1 9/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
ADORA1 P30542 3/20 0.44
TRPM2 O94759 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7792361 0.99 CYP2D6 (0.44) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7794777 0.96 HRH3 (0.46) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7796218 0.95 HTR2C (0.44) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL7792690 0.95 HRH3 (0.45) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7792435 0.94 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7796231 0.94 TDP1 (0.43) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL7795958 0.94 TDP1 (0.43) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL7794786 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7795918 0.92 LTA4H (0.44) KDM4EMEN1KMT2AHRH3ADORA2A
SCHEMBL7795701 0.92 HRH3 (0.49) ALDH1A1KDM4EMEN1KMT2APKM

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