SCHEMBL17776973

SCHEMBL17776973

CC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL17777056 0.91 MEN1 (0.41) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL17775617 0.91 TRPV1 (0.39) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL17777113 0.91 MEN1 (0.41) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL16754464 0.91 TRPV1 (0.39) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL17777041 0.90 MEN1 (0.39) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL19714184 0.90 NPC1 (0.39) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL17777129 0.90 TRPV1 (0.37) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL17769937 0.90 TRPV1 (0.37) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL19713842 0.88 GRM5 (0.38) TRPV1MEN1KMT2APTGS1PTGS2
SCHEMBL19713865 0.88 MEN1 (0.39) TRPV1MEN1KMT2APTGS1PTGS2

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-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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