SCHEMBL5069474

SCHEMBL5069474

N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc(N4CCOCC4)sc3CCNCCN3CCOCC3)cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
CETP P11597 1/20 0.39
LSS P48449 2/20 0.38
MAOB P27338 11/20 0.38
AR P10275 1/20 0.38
PDK1 Q15118 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL5070302 0.88 CETP (0.40) CETPLSSMAOBARPDK1
SCHEMBL5069481 0.84 CETP (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL729454 0.84 CETP (0.41) CETPLSSAR
SCHEMBL727597 0.82 CETP (0.46) CETPARACHE
SCHEMBL727701 0.78 CETP (0.44) CETPLSSAR
SCHEMBL729358 0.76 HRH3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL729137 0.74 HRH3 (0.43) LSS
SCHEMBL5070282 0.74 TRPV4 (0.42) NPC1RAB9A
SCHEMBL1777827 0.74 HRH3 (0.61) CETPAR
SCHEMBL727339 0.73 CETP (0.44) CETPAR

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 disclosed
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 disclosed