SCHEMBL5070282

SCHEMBL5070282

CNc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(CCNCCN2CCOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
HRH3 Q9Y5N1 9/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TBK1 Q9UHD2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 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
SCHEMBL5069481 0.89 CETP (0.41) TRPV4HRH3NPC1LMNATP53
SCHEMBL729341 0.87 TRPV4 (0.43) TRPV4HRH3THRATHRBTBK1
SCHEMBL727945 0.84 TRPV4 (0.47) TRPV4HRH3LMNATHRATHRB
SCHEMBL1777370 0.81 HRH3 (0.59) TRPV4HRH3LMNAHRH2HRH1
SCHEMBL727314 0.80 TRPV4 (0.46) TRPV4HRH3LMNATHRATHRB
SCHEMBL5148486 0.78 HRH3 (0.46) HRH3HRH2HRH1KCNH2
SCHEMBL729358 0.78 HRH3 (0.41) TRPV4HRH3THRATHRBHRH2
SCHEMBL729137 0.78 HRH3 (0.43) TRPV4HRH3THRATHRBALDH1A1
SCHEMBL5070305 0.77 CETP (0.43) HRH3NPC1LMNATP53GAA
SCHEMBL729454 0.77 CETP (0.41) TRPV4HRH3GAATHRATHRB

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