SCHEMBL14856808

SCHEMBL14856808

COc1ncc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 4/20 0.34
FAAH O00519 3/20 0.34
MAPK10 P53779 2/20 0.34
ANO1 Q5XXA6 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 1/20 0.33
BDKRB1 P46663 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL14856247 0.93 CNR2 (0.36) CNR2ALDH1A1HTR2AHTR2CLMNA
SCHEMBL14856774 0.92 FAAH (0.34) TRPV1FAAHMAPK10P2RX7BDKRB1
SCHEMBL14856668 0.92 CNR2 (0.36) CNR2LMNAKDM4ETRPV1FAAH
SCHEMBL14856670 0.91 FAAH (0.35) CNR2TRPV1FAAHP2RX7BDKRB1
SCHEMBL14856623 0.91 CNR2 (0.37) CNR2HTR2AHTR2CLMNATRPV1
SCHEMBL14856721 0.91 CNR2 (0.38) CNR2TRPV1FAAHNTRK1P2RX7
SCHEMBL14856769 0.90 CNR2 (0.36) CNR2ALDH1A1LMNAKDM4ETRPV1
SCHEMBL2806105 0.89 CNR2 (0.39) CNR2ALDH1A1ATMHTR2AHTR2C
SCHEMBL14856464 0.89 CNR2 (0.35) CNR2TRPV1FAAHP2RX7
SCHEMBL14856723 0.89 CNR2 (0.36) CNR2LMNATRPV1FAAHNTRK1

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed