SCHEMBL13051153

SCHEMBL13051153

COCCc1noc(C2CC(c3ccc(OC(F)F)cc3)CN(C(=O)N3CC(O)C3)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.45
CNR1 P21554 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
TRPA1 O75762 4/20 0.38
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL3766204 0.90 F2R (0.58) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL3766213 0.90 F2R (0.51) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL642240 0.90 F2R (0.57) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL10234373 0.87 F2R (0.46) F2RCNR1TMEM97HTTLMNA
SCHEMBL640752 0.87 F2R (0.44) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL10278640 0.86 F2R (0.45) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL641239 0.84 F2R (0.57) F2RCNR1TMEM97TRPA1ALDH1A1
SCHEMBL640708 0.84 F2R (0.39) F2RCNR1TMEM97GRM5CHRM2
SCHEMBL1581524 0.83 F2R (0.60) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3803119 0.82 F2R (0.55) F2RCNR1TMEM97TRPA1ALDH1A1

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-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed