SCHEMBL17776937

SCHEMBL17776937

CC(=O)c1ccc2c(n1)N(C(=O)Nc1cnccn1)[C@H]1CCN2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ FAAH O00519 3/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 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
SCHEMBL17769875 0.91 FAAH (0.39) RXFP1FAAHKDM4ETP53L3MBTL1
SCHEMBL22239604 0.91 FAAH (0.39) RXFP1FAAHKDM4ETP53L3MBTL1
SCHEMBL17770236 0.91 KDM4E (0.37) RXFP1FAAHKDM4ETP53MEN1
SCHEMBL22239612 0.91 KDM4E (0.37) RXFP1FAAHKDM4ETP53MEN1
SCHEMBL19736459 0.88 CNR2 (0.36) FAAHKDM4ENPC1RAB9A
SCHEMBL17770238 0.88 SMYD3 (0.37) FAAHRAB9AHRH2HRH1KMT2A
SCHEMBL16776516 0.88 KARS1 (0.37) FAAH
SCHEMBL17776973 0.87 TRPV1 (0.39) FAAHKDM4ENPC1RAB9ATP53
SCHEMBL19714191 0.86 HSD11B1 (0.36) FAAHHRH2HRH1MEN1KMT2A
SCHEMBL16754508 0.86 KMT2A (0.38) RXFP1FAAHKDM4ERAB9AMEN1

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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