SCHEMBL1581027

SCHEMBL1581027

COC(=O)OC1CC(c2ccc(OC(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.56
CNR1 P21554 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
EPHX2 P34913 2/20 0.43
PKM P14618 1/20 0.41
CTSS P25774 7/20 0.40
CTSK P43235 6/20 0.40
CTSL P07711 4/20 0.40
TACR1 P25103 1/20 0.40
AKR1C3 P42330 1/20 0.39

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
SCHEMBL1580818 0.89 F2R (0.56) F2RCNR1TMEM97EPHX2PKM
SCHEMBL1580561 0.88 F2R (0.60) F2REPHX2PKMTACR1AKR1C3
SCHEMBL1580852 0.86 F2R (0.48) F2RCNR1TMEM97EPHX2TACR1
SCHEMBL642020 0.85 F2R (0.53) F2RCNR1TMEM97EPHX2PKM
SCHEMBL1580358 0.85 F2R (0.75) F2R
SCHEMBL9895351 0.84 F2R (0.51) F2RCNR1TMEM97EPHX2PKM
SCHEMBL1580620 0.82 F2R (0.55) F2RPKMAKR1C3
SCHEMBL9895349 0.82 F2R (0.51) F2RCNR1TMEM97EPHX2PKM
SCHEMBL1580812 0.81 F2R (0.54) F2RAKR1C3
SCHEMBL641910 0.81 F2R (0.47) F2RCNR1TMEM97EPHX2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed