SCHEMBL643131

SCHEMBL643131

CCC(C(=O)O)c1nnc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)o1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.49
CNR1 P21554 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
CTSS P25774 10/20 0.37
CTSK P43235 9/20 0.37
CTSL P07711 9/20 0.37
TACR1 P25103 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL642123 0.90 F2R (0.53) F2RCNR1TMEM97CTSSCTSK
SCHEMBL643018 0.84 F2R (0.52) F2RCNR1TMEM97CTSSCTSK
SCHEMBL3972756 0.83 F2R (0.55) F2RCNR1TMEM97CTSSCTSK
SCHEMBL641944 0.81 F2R (0.51) F2RCNR1TMEM97CTSSCTSK
SCHEMBL10234891 0.81 F2R (0.51) F2RCNR1TMEM97CTSSCTSK
SCHEMBL641180 0.78 F2R (0.61) F2RCNR1TMEM97CTSSCTSK
SCHEMBL12720313 0.78 F2R (0.53) F2RCNR1TMEM97CTSSCTSK
SCHEMBL642183 0.78 F2R (0.61) F2RCNR1TMEM97CTSSCTSK
SCHEMBL643047 0.76 F2R (0.64) F2RCNR1TMEM97TACR1EPHX2
SCHEMBL11996162 0.76 F2R (0.59) F2RCNR1TMEM97CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
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