SCHEMBL5069481

SCHEMBL5069481

NC(=NO)c1ccc(OCCCCCOc2ccc(-c3nc(N4CCOCC4)sc3CCNCCN3CCOCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
AR P10275 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LSS P48449 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
BMPR1B O00238 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
SCHEMBL5070282 0.89 TRPV4 (0.42) HRH3HRH2HRH1GAANPC1
SCHEMBL5070305 0.88 CETP (0.43) CETPHRH3ARHRH2HRH1
SCHEMBL729454 0.88 CETP (0.41) CETPHRH3ARGAATHRA
SCHEMBL5069474 0.84 BMPR1B (0.40) CETPARNPC1RAB9ALSS
SCHEMBL727597 0.83 CETP (0.46) CETPHRH3ARTHRATHRB
SCHEMBL727701 0.80 CETP (0.44) CETPHRH3ARHRH2HRH1
SCHEMBL1777827 0.80 HRH3 (0.61) CETPHRH3ARHRH2HRH1
SCHEMBL5148486 0.79 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL729358 0.79 HRH3 (0.41) HRH3HRH2HRH1THRATHRB
SCHEMBL729137 0.77 HRH3 (0.43) HRH3THRATHRBLSSKDM4E

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