SCHEMBL27957008

SCHEMBL27957008

COCCOc1ccc2c(c1)NCC2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
HRH3 Q9Y5N1 4/20 0.51
PARP1 P09874 1/20 0.43
APP P05067 1/20 0.43
MAOA P21397 9/20 0.41
MAOB P27338 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL15897863 0.86 HRH3 (0.56) PPARGPPARDPPARAHRH3APP
SCHEMBL15880148 0.82 HRH3 (0.48) PPARGPPARDPPARAHRH3PARP1
SCHEMBL15880025 0.82 HRH3 (0.58) PPARGPPARDPPARAHRH3PARP1
SCHEMBL19675654 0.82 HRH3 (0.49) PPARGPPARDPPARAHRH3MAOA
Hydrochloric Acid SCHEMBL1426687 0.81 HRH3 (0.47) PPARGPPARDPPARAHRH3PARP1
SCHEMBL30025932 0.80 HTR2C (0.50) HRH3SMN1; SMN2
SCHEMBL550150 0.80 HTR2C (0.50) HRH3SMN1; SMN2
SCHEMBL19675471 0.78 HRH3 (0.45) PPARGPPARDPPARAHRH3APP
SCHEMBL28039297 0.78 HRH3 (0.51) PPARGPPARDPPARAHRH3MAOA
SCHEMBL4762185 0.77 HRH3 (0.60) HRH3

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
CN-103764143-B Lipoxygenase inhibitors 斯坦福国际咨询研究所 2017-05-03 CN disclosed
CN-103764143-A Lipoxygenase inhibitors STANFORD RES INST INT 2014-04-30 CN disclosed