SCHEMBL28064182

SCHEMBL28064182

O=C(Cc1cscn1)ON1CCC(CCOc2ccc(F)cc2)C(CCOc2ccc(F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A3 Q01959 1/20 0.34
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
KCNA5 P22460 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL28064085 0.91 RAB9A (0.38) LTA4HSLC6A3KCNA5
SCHEMBL28827928 0.87 MEN1 (0.39) LTA4HMAPTSMN1; SMN2SLC6A3HCRTR1
SCHEMBL28946451 0.80 MMP2 (0.43) LTA4HMAPTSMN1; SMN2KCNA5POLB
SCHEMBL28064062 0.78 RAB9A (0.39) LTA4HSLC6A3
SCHEMBL28064078 0.77 TEAD1 (0.45) LTA4H
SCHEMBL28064080 0.76 HRH3 (0.39) LTA4HSMN1; SMN2
SCHEMBL28088346 0.73 RAB9A (0.38) MAPTSMN1; SMN2HCRTR1HCRTR2POLB
SCHEMBL28064077 0.71 KDM4E (0.44) POLB
SCHEMBL28064082 0.71 KDM4E (0.41) SMN1; SMN2
SCHEMBL2228850 0.71 GRIN2B (0.46) POLB

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-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN disclosed