SCHEMBL14036181

SCHEMBL14036181

Cc1nc(-c2ccc(OCCCOc3ccc4c(ccn4CC=O)c3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
AOC3 Q16853 2/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 2/20 0.39
NR1I2 O75469 1/20 0.39
CXCR1 P25024 2/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
BCL2 P10415 1/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL4242855 0.85 PPARG (0.60) GRM2PPARGPPARDPPARAMCL1
SCHEMBL26027547 0.72 ACACB (0.61) AOC3LMNATSHRNFKB1RAB9A
SCHEMBL30669691 0.71 HTR2C (0.57)
SCHEMBL29138510 0.71 HTR2C (0.57)
SCHEMBL13699229 0.71 PPARD (0.48) GRM2PPARGPPARDPPARAMCL1
SCHEMBL7294501 0.70 ACACB (0.69) AOC3LMNATSHRNFKB1RAB9A
SCHEMBL9522122 0.67 AOC3 (0.50) AOC3LMNATSHRNFKB1RAB9A
SCHEMBL7979642 0.67 CXCR1 (0.55) AOC3RAB9ANR1I2CXCR1
SCHEMBL12621106 0.67 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL26022112 0.67 AOC3 (0.52) AOC3LMNATSHRNFKB1RAB9A

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-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed