SCHEMBL14856421

SCHEMBL14856421

Nc1cc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)cnn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.33
BACE1 P56817 1/20 0.32
TRPV1 Q8NER1 4/20 0.32
P2RX7 Q99572 2/20 0.32
CNR2 P34972 1/20 0.31
TRPA1 O75762 3/20 0.31
CDK8 P49336 2/20 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
SCHEMBL14856786 0.90 FAAH (0.33) FAAHBACE1TRPV1P2RX7CNR2
SCHEMBL14856594 0.89 FAAH (0.33) FAAHBACE1TRPV1P2RX7TRPA1
SCHEMBL2807987 0.88 BDKRB1 (0.35) BACE1P2RX7CNR2TRPA1
SCHEMBL14856710 0.87 FAAH (0.35) FAAHTRPV1P2RX7CNR2TRPA1
SCHEMBL14856424 0.86 P2RX7 (0.33) FAAHBACE1TRPV1P2RX7CNR2
SCHEMBL14856698 0.85 P2RX7 (0.32) FAAHP2RX7CNR2TRPA1
SCHEMBL14856622 0.85 P2RX7 (0.32) FAAHP2RX7CNR2TRPA1
SCHEMBL14856774 0.85 FAAH (0.34) FAAHTRPV1P2RX7TRPA1
SCHEMBL14856577 0.84 FAAH (0.34) FAAHTRPV1P2RX7CNR2TRPA1
SCHEMBL14856628 0.84 FAAH (0.33) FAAHTRPV1P2RX7CNR2TRPA1

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