SCHEMBL13808366

SCHEMBL13808366

Cc1coc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCC(C#N)CC3)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.58
CNR1 P21554 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
LIPE Q05469 1/20 0.41
KCNH2 Q12809 1/20 0.37
ENPP2 Q13822 1/20 0.37
PROKR1 Q8TCW9 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
FASN P49327 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
SCHEMBL13808426 0.90 F2R (0.56) F2RCNR1TMEM97LIPEPROKR1
SCHEMBL13808374 0.89 F2R (0.56) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL12720612 0.87 F2R (0.61) F2RCNR1TMEM97LIPEUSP2
SCHEMBL13808280 0.86 F2R (0.48) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL12720366 0.86 F2R (0.53) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL641459 0.86 F2R (0.58) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL13808094 0.85 F2R (0.52) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL12720163 0.83 F2R (0.52) F2RCNR1TMEM97RORCSCN9A
SCHEMBL12719978 0.83 F2R (0.51) F2RCNR1TMEM97LIPEKCNH2
SCHEMBL13808314 0.83 F2R (0.51) F2RCNR1TMEM97LIPEPROKR1

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-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed