SCHEMBL19983213

SCHEMBL19983213

C=C(C)NCC(=C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.59
MAOB P27338 8/20 0.59
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
GAA P10253 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
SCHEMBL5152326 0.84 MTNR1A (0.56) MAOAMAOBMTNR1AMTNR1BGAA
SCHEMBL1930695 0.78 MAOA (0.63) MAOAMAOBGAA
SCHEMBL29235122 0.78 GAA (0.61) MAOAMAOBGAA
SCHEMBL11109230 0.77 MAOA (0.52) MAOAMAOBGAA
SCHEMBL7767040 0.76 MAOA (0.54) MAOAMAOB
SCHEMBL5167808 0.75 MAOA (0.65) MAOAMAOB
SCHEMBL1274666 0.74 MAOA (1.00) MAOAMAOB
Hydrochloric Acid SCHEMBL5694909 0.74 MAOA (0.67) MAOAMAOB
SCHEMBL11032966 0.73 MAOA (0.57) MAOAMAOB
SCHEMBL5169583 0.73 MAOA (0.62) MAOAMAOB

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
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed