SCHEMBL485916

SCHEMBL485916

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.63
AKR1C3 P42330 2/20 0.51
TACR1 P25103 1/20 0.46
RORC P51449 2/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 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
SCHEMBL1580561 0.89 F2R (0.60) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL1580548 0.88 F2R (0.52) F2RAKR1C3TACR1USP2PKM
SCHEMBL1580818 0.88 F2R (0.56) F2RAKR1C3TACR1KMT2AEPHX2
SCHEMBL1580804 0.87 F2R (0.63) F2RRORCEPHX2
SCHEMBL3802720 0.87 F2R (0.48) F2RAKR1C3RORC
SCHEMBL17135694 0.87 F2R (0.49) F2RAKR1C3TACR1
SCHEMBL1580501 0.87 F2R (0.52) F2R
SCHEMBL3800392 0.86 F2R (0.64) F2RAKR1C3TACR1
SCHEMBL1580462 0.86 F2R (0.46) F2RRORC
SCHEMBL1580520 0.85 F2R (0.48) F2RAKR1C3TACR1RORCEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2435428-B1 SUBSTITUTED PIPERIDINES BAYER IP GMBH (DE) 2013-07-31 EP disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
WO-2010136128-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO 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