SCHEMBL2363075

SCHEMBL2363075

CCCCCCOc1ccc(OCCC2CCN(C(=O)O)C(Cc3cncs3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.40
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 4/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G4B P0C869 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL2365423 0.86 LTA4H (0.35)
SCHEMBL2365374 0.85 TEAD1 (0.35)
SCHEMBL2365504 0.84 ACKR3 (0.42)
SCHEMBL2363761 0.83 S1PR5 (0.41) S1PR5S1PR1S1PR3TP53TSHR
SCHEMBL2363076 0.78 GPR119 (0.44) S1PR5HRH2HRH1
SCHEMBL2365446 0.76 POLB (0.38) TSHRL3MBTL1
SCHEMBL27884632 0.73 PARP15 (0.39)
SCHEMBL2365494 0.70 ACKR3 (0.45) HRH2HRH1
SCHEMBL2229063 0.69 GPR119 (0.41)
SCHEMBL28064295 0.69 HCRTR1 (0.36)

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
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed