SCHEMBL17778477

SCHEMBL17778477

O=C(Nc1cnnc(OCCCCO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ CPT2 P23786 2/20 0.34
▸ CPT1A P50416 2/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL17778474 0.91 KDM4E (0.38) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL17778376 0.91 KCNJ6 (0.34) TRPV1KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769814 0.90 RAF1 (0.37) TRPV1KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769637 0.90 RAF1 (0.37) TRPV1KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL20550506 0.90 RAF1 (0.37) TRPV1KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17778333 0.89 KIF11 (0.37) TRPV1KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL17769781 0.85 RAF1 (0.38) TRPV1KDM4ECPT2CPT1ACPT1B
SCHEMBL20550507 0.85 RAF1 (0.38) TRPV1KDM4ECPT2CPT1ACPT1B
SCHEMBL17769780 0.85 RAF1 (0.38) TRPV1KDM4ECPT2CPT1ACPT1B
SCHEMBL17769336 0.85 RAF1 (0.34) TRPV1KCNJ6KCNJ5KCNJ3KDM4E

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-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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