SCHEMBL27784239

SCHEMBL27784239

COc1ccc(Cc2ccc3c(c2)C(=O)CCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.56
MAOB P27338 13/20 0.56
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LTA4H P09960 1/20 0.44
HSD17B1 P14061 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5146484 0.83 MAOB (0.58) MAOAMAOB
SCHEMBL29726357 0.83 MAOB (0.58) MAOAMAOB
SCHEMBL120284 0.83 MAOB (0.58) MAOAMAOB
SCHEMBL3171240 0.77 MAOA (0.55) MAOAMAOBALDH1A1HSD17B1NPC1
SCHEMBL3857144 0.75 MAOA (0.81) MAOAMAOB
SCHEMBL11476808 0.74 MAOA (0.50) MAOAMAOBALDH1A1
SCHEMBL27895 0.74 MAOB (0.67) MAOAMAOBNPC1RAB9A
SCHEMBL11949158 0.74 MAOA (0.52) MAOAMAOBHSD17B1
SCHEMBL13392263 0.74 MAOA (0.63) MAOAMAOB
SCHEMBL1495967 0.73 MAOA (0.58) MAOAMAOBHSD17B1

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
CN-101759591-A Preparing method of N-[2-(7- anisyl-1- naphthyl) ethide] acetamide ZHEJIANG HUAHAI PHARM CO LTD 2010-06-30 CN disclosed