SCHEMBL28946451

SCHEMBL28946451

O=C(OCc1cscn1)N1CCC(CCOc2ccc(F)cc2)C(CCOc2ccc(F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
GRIN2B Q13224 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36
KCNA5 P22460 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL27884721 0.91 MMP2 (0.43) MMP2MMP9HRH2HRH1MEN1
SCHEMBL2228850 0.87 GRIN2B (0.46) MMP2MMP9GRIN2BHRH2HRH1
SCHEMBL13837204 0.85 GRIN2B (0.43) MMP2MMP9GRIN2BHRH2HRH1
SCHEMBL2362512 0.81 MMP2 (0.43) MMP2MMP9GRIN2BPOLBMEN1
SCHEMBL28064182 0.80 LTA4H (0.36) POLBMAPTSMN1; SMN2LTA4HKCNA5
SCHEMBL2365458 0.78 LIPE (0.43) MMP2MMP9GRIN2BSMN1; SMN2
SCHEMBL2229112 0.78 GRM5 (0.43) MMP2MMP9HRH2HRH1MEN1
SCHEMBL2226384 0.76 HRH3 (0.43) MMP2MMP9GRIN2BHRH2HRH1
SCHEMBL2228891 0.76 TEAD1 (0.50) MMP2MMP9GRIN2BGAAMAPT
SCHEMBL2231117 0.76 TEAD1 (0.47) MMP2MMP9GRIN2BHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803258-A Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SANOFI AVENTIS 2012-11-28 CN disclosed