SCHEMBL28081699

SCHEMBL28081699

N#Cc1ccc(CNC2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ KDM1A O60341 4/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ EGLN2 Q96KS0 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43

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
SCHEMBL19650807 0.90 LOXL2 (0.57) LOXL2KDM1ASLC6A4MAOAMAOB
Trifluoroacetic Acid SCHEMBL5014957 0.87 SLC6A2 (0.43) KDM1ASLC6A2SLC6A4MAOAMAOB
SCHEMBL11432052 0.86 HRH3 (0.62) LOXL2KDM1AMAOAMAOBHRH3
SCHEMBL2579002 0.85 HRH3 (0.66) LOXL2KDM1AMAOAMAOBHRH3
SCHEMBL28081753 0.81 KDM1A (0.54) KDM1ASLC6A2SLC6A4MAOAMAOB
SCHEMBL24093028 0.80 LOXL2 (0.46) LOXL2KDM1ASLC6A4MAOAMAOB
SCHEMBL23514564 0.80 LOXL2 (0.46) LOXL2KDM1ASLC6A4MAOAMAOB
SCHEMBL1586716 0.79 HRH3 (0.49) SLC6A2SLC6A4HRH3MEN1RAB9A
SCHEMBL3355681 0.79 BCHE (0.54) KDM1ASLC6A2SLC6A4MAOAMAOB
SCHEMBL24392683 0.79 HRH3 (0.49) SLC6A2SLC6A4HRH3MEN1RAB9A

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-103201267-B AMPK-activating heterocyclic compounds and methods of use thereof 里格尔药品股份有限公司 2016-08-17 — — CN disclosed
CN-104016977-B A kind of replacement thiadiazine diketone derivative and preparation method thereof and application 山东大学 2016-06-22 — — CN disclosed
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