SCHEMBL8025903

SCHEMBL8025903

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C1CC1)C3(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPA1 O75762 4/20 0.48
TRPV1 Q8NER1 2/20 0.48
KDR P35968 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
BAZ2B Q9UIF8 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45

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
SCHEMBL7498322 0.88 BAZ2B (0.56) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
SCHEMBL8036143 0.85 MAPKAPK2 (0.48) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
SCHEMBL8025879 0.76 MAPKAPK2 (0.59) MAPKAPK2BAZ2BSIRT1MAPKAPK5
SCHEMBL7508089 0.75 KDM4E (0.51) MAPKAPK2KDRBAZ2BSIRT1MEN1
SCHEMBL8035773 0.75 KDR (0.53) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
SCHEMBL10579013 0.74 MAPKAPK2 (0.52) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
SCHEMBL10579154 0.74 MAPKAPK2 (0.52) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
SCHEMBL10579020 0.74 MAPKAPK2 (0.52) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
Hydrochloric Acid SCHEMBL10574826 0.74 MAPKAPK2 (0.51) MAPKAPK2L3MBTL1TRPA1TRPV1KDR
Hydrochloric Acid SCHEMBL10574828 0.74 MAPKAPK2 (0.51) MAPKAPK2L3MBTL1TRPA1TRPV1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed