SCHEMBL5148486

SCHEMBL5148486

NC(=NO)c1ccc(OCCCCCOc2ccc(-c3nc(CN4CCCCC4)sc3CCN3CCOCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.46
CHEK2 O96017 1/20 0.42
AGER Q15109 3/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL727889 0.85 HRH3 (0.46) HRH3AGERKCNH2HRH4
SCHEMBL5070305 0.81 CETP (0.43) HRH3HRH2HRH1
SCHEMBL5069481 0.79 CETP (0.41) HRH3HRH2HRH1
SCHEMBL5064006 0.79 HRH3 (0.46) HRH3
SCHEMBL5070282 0.78 TRPV4 (0.42) HRH3HRH2HRH1KCNH2
SCHEMBL727597 0.76 CETP (0.46) HRH3KCNH2
SCHEMBL7293962 0.76 HRH3 (0.62) HRH3HRH2HRH1KCNH2
SCHEMBL727795 0.75 HRH3 (0.46) HRH3KCNH2
SCHEMBL727955 0.75 BMPR1B (0.43) HRH3KCNH2
SCHEMBL5067350 0.74 RAB9A (0.43) HRH3CHEK2AGERKCNH2HRH4

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