SCHEMBL3723797

SCHEMBL3723797

COC(=O)OC1CC(c2ccc(OC(F)F)cc2)CN(C(=O)N2CCSCC2(O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.35
ACACB O00763 4/20 0.34
DPP4 P27487 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
PREP P48147 2/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.30
KCNH2 Q12809 2/20 0.30
MCHR1 Q99705 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3723216 0.82 F2R (0.36) F2RACACBDPP4DPP7PREP
SCHEMBL3794078 0.78 F2R (0.45) F2RACACBLMNAALDH1A1IDO1
SCHEMBL3800964 0.78 F2R (0.41) F2RACACBLMNAALDH1A1IDO1
SCHEMBL3722789 0.74 F2R (0.35) F2RACACBALDH1A1
SCHEMBL3732951 0.68 F2R (0.44) F2RDPP4DPP7HRH3SLC6A3
SCHEMBL3727927 0.68 CHRNB2 (0.42) ALDH1A1IDO1
SCHEMBL10278942 0.68 F2R (0.43) F2RLMNAALDH1A1IDO1
SCHEMBL1581027 0.67 F2R (0.56) F2R
SCHEMBL10278542 0.67 LMNA (0.39) F2RLMNAALDH1A1IDO1SLC6A4
SCHEMBL485798 0.67 F2R (0.62) F2RMCHR1SLC6A3

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
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed