SCHEMBL12720163

SCHEMBL12720163

N#CC1CCN(C(=O)N2CC(c3ccc(C(F)(F)F)cc3)CC(c3nc(-c4cccnc4)co3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.52
CNR1 P21554 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CYP3A4 P08684 3/20 0.36
RORC P51449 2/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL641968 0.87 F2R (0.51) F2RCNR1TMEM97
SCHEMBL13808366 0.83 F2R (0.58) F2RCNR1TMEM97RORCSCN9A
SCHEMBL13808322 0.83 F2R (0.53) F2RCNR1TMEM97RORC
SCHEMBL13808314 0.82 F2R (0.51) F2RCNR1TMEM97RORCSCN9A
SCHEMBL13808374 0.81 F2R (0.56) F2RCNR1TMEM97RORCSCN9A
SCHEMBL642712 0.79 F2R (0.55) F2RCNR1TMEM97
SCHEMBL642761 0.79 F2R (0.55) F2RCNR1TMEM97CYP3A4
SCHEMBL12720366 0.79 F2R (0.53) F2RCNR1TMEM97RORCSCN9A
SCHEMBL13808094 0.78 F2R (0.52) F2RCNR1TMEM97USP30SCN9A
SCHEMBL27798031 0.78 F2R (0.52) F2RCYP3A4RORCSCN9A

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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed