SCHEMBL3796145

SCHEMBL3796145

O=C(O)OC1CC(c2ccc(CC(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.48
MGLL Q99685 1/20 0.38
CNR1 P21554 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL3725314 0.88 F2R (0.47) F2RMGLLCNR1TMEM97FFAR4
SCHEMBL1580804 0.87 F2R (0.63) F2RCNR1TMEM97
SCHEMBL1580636 0.87 F2R (0.60) F2RMGLLALDH1A1LMNARAB9A
SCHEMBL1580460 0.85 F2R (0.53) F2RMGLLCNR1TMEM97HRH3
SCHEMBL1050074 0.85 F2R (0.52) F2RMGLLCNR1TMEM97ALDH1A1
SCHEMBL3724390 0.83 F2R (0.42) F2RALDH1A1LMNARAB9AFFAR4
SCHEMBL1056594 0.82 F2R (0.52) F2RMGLLALDH1A1LMNARAB9A
SCHEMBL1580609 0.80 F2R (0.50) F2RMGLLCNR1TMEM97HRH3
SCHEMBL1581028 0.80 F2R (0.47) F2RMGLLCNR1TMEM97RAB9A
SCHEMBL3731465 0.80 RORC (0.43) F2R

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