SCHEMBL5064006

SCHEMBL5064006

CC(C)C(=O)N(C)c1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(CCN2CCOCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL728948 0.87 HRH3 (0.48) HRH3KMT2AMEN1NPC1RAB9A
SCHEMBL5067350 0.81 RAB9A (0.43) HRH3NPC1RAB9ABCHEACHE
SCHEMBL5148486 0.79 HRH3 (0.46) HRH3
SCHEMBL5070305 0.78 CETP (0.43) HRH3NPC1RAB9ATHRBTHRA
SCHEMBL1779706 0.76 HRH3 (0.59) HRH3ALDH1A1LMNA
SCHEMBL5070282 0.76 TRPV4 (0.42) HRH3NPC1RAB9ATHRBTHRA
SCHEMBL5069481 0.76 CETP (0.41) HRH3NPC1RAB9ATHRBTHRA
SCHEMBL727538 0.76 HRH3 (0.45) HRH3THRBTHRASMN1; SMN2KDM4E
SCHEMBL727795 0.74 HRH3 (0.46) HRH3THRBTHRAACHEALDH1A1
SCHEMBL727691 0.73 HRH3 (0.48) HRH3KMT2ATHRBTHRASMN1; SMN2

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