SCHEMBL5067345

SCHEMBL5067345

CN(C)c1nc(-c2ccc(OCCCCCOc3ccc(C(=N)N)c(O)c3)cc2)c(CCN2CCSCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.42
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
AGER Q15109 4/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAOA P21397 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
SCHEMBL5070302 0.84 CETP (0.40) MAOBBCHEACHE
SCHEMBL729448 0.84 AGER (0.40) NPC1TSHRRAB9AAGERBCHE
SCHEMBL5067350 0.83 RAB9A (0.43) NPC1TSHRRAB9AAGERBCHE
SCHEMBL727538 0.75 HRH3 (0.45) BCHEACHE
SCHEMBL729132 0.73 AGER (0.39) AGER
SCHEMBL5069474 0.72 BMPR1B (0.40) MAOBNPC1RAB9ABCHEACHE
SCHEMBL729430 0.72 TRPV4 (0.39) AGER
SCHEMBL727888 0.72 AGER (0.40) AGER
SCHEMBL1779706 0.72 HRH3 (0.59)
SCHEMBL727562 0.72 AGER (0.38) NPC1RAB9AAGER

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
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP claimed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 WO claimed