SCHEMBL14856464

SCHEMBL14856464

N#Cc1ncc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 7/20 0.33
CTSL P07711 1/20 0.33
TRPV1 Q8NER1 5/20 0.33
P2RX7 Q99572 1/20 0.32
FAAH O00519 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 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
SCHEMBL14856668 0.93 CNR2 (0.36) CNR2L3MBTL1TRPV1P2RX7FAAH
SCHEMBL14856721 0.90 CNR2 (0.38) CNR2L3MBTL1TRPV1P2RX7FAAH
SCHEMBL14856623 0.89 CNR2 (0.37) CNR2TRPV1P2RX7FAAHCYP1A2
SCHEMBL14856808 0.89 CNR2 (0.38) CNR2TRPV1P2RX7FAAH
SCHEMBL2807122 0.89 AR (0.37) CNR2L3MBTL1ARCTSLP2RX7
SCHEMBL14856247 0.88 CNR2 (0.36) CNR2TRPV1P2RX7FAAHCYP1A2
SCHEMBL14856769 0.88 CNR2 (0.36) CNR2TRPV1P2RX7FAAHRAB9A
SCHEMBL14856764 0.88 FLT3 (0.36) CNR2TRPV1P2RX7FAAH
SCHEMBL250768 0.87 CNR2 (0.36) CNR2TRPV1P2RX7FAAH
SCHEMBL14856723 0.87 CNR2 (0.36) CNR2L3MBTL1TRPV1P2RX7FAAH

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