SCHEMBL3719959

SCHEMBL3719959

O=C(NC1(C(=O)NCc2ncc(Oc3ccccc3C(F)(F)F)cc2Cl)CC1)Oc1cncnc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.37
FAAH O00519 6/20 0.37
P2RX7 Q99572 5/20 0.36
BDKRB1 P46663 2/20 0.35
SCD O00767 2/20 0.33
NOTUM Q6P988 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
SCHEMBL13191579 0.91 BDKRB1 (0.44) P2RX7BDKRB1SCD
SCHEMBL3726047 0.83 BDKRB1 (0.42) BDKRB1
SCHEMBL13191215 0.82 BDKRB1 (0.45) BDKRB1SCD
SCHEMBL13191406 0.81 BDKRB1 (0.42) P2RX7BDKRB1
SCHEMBL14856754 0.80 TRPV1 (0.38) TRPV1FAAHP2RX7BDKRB1
SCHEMBL13191263 0.79 BDKRB1 (0.39) P2RX7BDKRB1
SCHEMBL3723411 0.78 BDKRB1 (0.44) BDKRB1
SCHEMBL13191708 0.77 BDKRB1 (0.48) BDKRB1SCDNOTUM
SCHEMBL14856605 0.77 FAAH (0.35) TRPV1FAAHBDKRB1
SCHEMBL3728256 0.76 P2RY1 (0.37) TRPV1FAAHNOTUM

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-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed