SCHEMBL3800964

SCHEMBL3800964

COC(=O)OC1CC(c2ccc(OC(F)F)cc2)CN(C(=O)N2CC[S+]([O-])CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.41
ACACB O00763 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
TRPC6 Q9Y210 1/20 0.32
CNR1 P21554 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1054689 0.87 F2R (0.37) F2RLMNAALDH1A1IDO1TRPC6
SCHEMBL3794078 0.86 F2R (0.45) F2RACACBLMNAALDH1A1IDO1
SCHEMBL1056811 0.82 ALDH1A1 (0.35) F2RLMNAALDH1A1CNR1TMEM97
SCHEMBL3723216 0.79 F2R (0.36) F2RACACBLMNAALDH1A1IDO1
SCHEMBL3723797 0.78 F2R (0.35) F2RACACBLMNAALDH1A1IDO1
SCHEMBL3764088 0.75 F2R (0.60) F2RCNR1TMEM97MEN1KMT2A
SCHEMBL1054200 0.74 F2R (0.46) F2RALDH1A1CNR1TMEM97MEN1
SCHEMBL1581027 0.74 F2R (0.56) F2RCNR1TMEM97
SCHEMBL485798 0.74 F2R (0.62) F2RKMT2A
SCHEMBL10278942 0.73 F2R (0.43) F2RLMNAALDH1A1IDO1TRPC6

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-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed