SCHEMBL7796600

SCHEMBL7796600

CCCCOc1cc(OCCCN(CC)CC)c(N)c2c1-c1c(OCCCN(CC)CC)cccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RAD52 P43351 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
KCNA3 P22001 1/20 0.39
FLT3 P36888 3/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL7795946 0.96 CYP1A2 (0.41) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7791883 0.96 CYP1A2 (0.41) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7794808 0.96 CYP1A2 (0.43) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7796463 0.94 CYP1A2 (0.44) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7794771 0.94 TTR (0.42) KCNA3FLT3ALDH1A1
SCHEMBL7796436 0.94 TTR (0.42) KCNA3FLT3ALDH1A1
SCHEMBL7792181 0.93 CYP1A2 (0.41) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7792112 0.91 ALDH1A1 (0.46) KCNA3FLT3ALDH1A1KMT2A
SCHEMBL7794717 0.91 ALDH1A1 (0.41) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7794860 0.90 CYP1A2 (0.44) CYP1A2CYP2D6SCN1ASCN2ASCN3A

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