SCHEMBL13256100

SCHEMBL13256100

O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCC(N2CCCC2=O)[C@@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
VNN1 O95497 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
HSD11B1 P28845 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
SCHEMBL3063519 1.00 KDM5A (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3063280 1.00 KDM5A (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3063282 1.00 KDM5A (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3063521 1.00 KDM5A (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3063288 1.00 KDM5A (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3071272 0.89 SCD5 (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3074619 0.89 SCD5 (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3074617 0.89 SCD5 (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3071276 0.89 SCD5 (0.32) KDM5ATRPV1VNN1IRAK4PROKR1
SCHEMBL3071271 0.89 SCD5 (0.32) KDM5ATRPV1VNN1IRAK4PROKR1

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-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed