SCHEMBL5070302

SCHEMBL5070302

N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc(N4CCOCC4)sc3CCN3CCSCC3)cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
MAOB P27338 13/20 0.39
AR P10275 2/20 0.39
LSS P48449 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PDK1 Q15118 2/20 0.36

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
SCHEMBL5069474 0.88 BMPR1B (0.40) CETPMAOBARLSSBCHE
SCHEMBL727597 0.85 CETP (0.46) CETPARACHE
SCHEMBL5070305 0.84 CETP (0.43) CETPARLSS
SCHEMBL5067345 0.84 MAOB (0.42) MAOBBCHEACHE
SCHEMBL727964 0.84 CETP (0.42) CETPARLSS
SCHEMBL727701 0.79 CETP (0.44) CETPARLSS
SCHEMBL1777827 0.77 HRH3 (0.61) CETPAR
SCHEMBL727339 0.76 CETP (0.44) CETPAR
SCHEMBL727795 0.74 HRH3 (0.46) ACHE
SCHEMBL5069481 0.73 CETP (0.41) CETPARLSS

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