SCHEMBL6578658

SCHEMBL6578658

N#Cc1ccc(CN2CCC(S(=O)(=O)CC(CCCc3ccccc3)C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
PRKAA2 P54646 5/20 0.45
CHRM4 P08173 4/20 0.44
FAAH O00519 1/20 0.43
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL6580383 0.91 HTR2A (0.50) HTR2AMEN1KMT2ACHRM2
SCHEMBL6578081 0.91 MMP2 (0.48) THRBHRH3PRKAA2CHRM4FAAH
SCHEMBL6578655 0.81 MMP2 (0.53) HTR2A
SCHEMBL7079165 0.78 MMP2 (0.54)
SCHEMBL6580390 0.77 MMP2 (0.51)
SCHEMBL6581071 0.77 MMP1 (0.52) HTR2ADRD4MEN1ALDH1A1KMT2A
Hydroxyamine SCHEMBL6580410 0.75 MMP1 (0.50) HTR2ADRD4MEN1KMT2A
SCHEMBL6578098 0.75 MMP2 (0.51) ALDH1A1
SCHEMBL6578067 0.74 STS (0.52) THRBSMN1; SMN2
SCHEMBL7922593 0.71 MMP12 (0.56) FAAH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed