SCHEMBL19670187

SCHEMBL19670187

CCN1CC[C@@H](C)N(C(=O)Nc2ccccn2)c2nc(-c3cnc4c(c3)OC(F)(F)O4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.36
▸ PIK3R1 P27986 3/20 0.36
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ FAAH O00519 3/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL19669047 0.83 TRPV1 (0.35) MTORPIK3R1GSK3BDYRK1ATRPV1
SCHEMBL19670528 0.82 GSK3B (0.40) MTORPIK3R1RECQLSMN1; SMN2GSK3B
SCHEMBL19670184 0.82 MDM2 (0.39) MTORGSK3BDYRK1AMAPTFAAH
SCHEMBL19365377 0.78 FGFR4 (0.39) MTORPIK3R1RECQLSMN1; SMN2ALDH1A1
SCHEMBL19670006 0.77 KARS1 (0.40) MTORPIK3R1GSK3BDYRK1ATRPV1
SCHEMBL19670597 0.77 NPC1 (0.40) TRPV1PTGS1PTGS2NPC1LMNA
SCHEMBL19365513 0.75 PRMT5 (0.41) ALDH1A1LMNATSHR
SCHEMBL16776056 0.74 FGFR4 (0.41) TRPV1FAAHNPC1
SCHEMBL16238195 0.74 KIT (0.39) RECQLSMN1; SMN2GSK3BDYRK1ATRPV1
SCHEMBL19365562 0.74 MTOR (0.41) MTORPIK3R1GSK3BDYRK1AFAAH

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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