SCHEMBL12720187

SCHEMBL12720187

CN(C)Cc1nnc(C2CC(C3=CC=C(OC(F)(F)F)CC3)CN(C(=O)N3CCOCC3)C2)o1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.34
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CCR5 P51681 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 1/20 0.31
USP2 O75604 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL641944 0.83 F2R (0.51) F2RCNR1TMEM97CCR5KCNH2
SCHEMBL643018 0.72 F2R (0.52) F2RCNR1TMEM97EPHX2
SCHEMBL3972756 0.71 F2R (0.55) F2RCNR1TMEM97EPHX2PKM
SCHEMBL10234891 0.70 F2R (0.51) F2RCNR1TMEM97EPHX2PKM
SCHEMBL642123 0.67 F2R (0.53) F2RCNR1TMEM97EPHX2
SCHEMBL643131 0.65 F2R (0.49) F2RCNR1TMEM97EPHX2
SCHEMBL641304 0.63 F2R (0.56) F2RCNR1TMEM97EPHX2
SCHEMBL1580594 0.63 F2R (0.52) F2RCNR1TMEM97USP2PKM
Hydrochloric Acid SCHEMBL643265 0.62 F2R (0.51) F2RCNR1TMEM97USP2PKM
SCHEMBL13808343 0.62 F2R (0.54) 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 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