SCHEMBL4772503

SCHEMBL4772503

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1onc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HRH3 Q9Y5N1 10/20 0.44
ROCK1 Q13464 1/20 0.44
NPC1 O15118 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
USP2 O75604 2/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.40
HRH1 P35367 1/20 0.40
AXL P30530 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL4772037 0.95 SLC2A1 (0.43) MEN1KMT2AHRH3ROCK1NPC1
SCHEMBL4770985 0.78 MAP4K1 (0.57) NPC1RAB9A
SCHEMBL4794145 0.78 MAPT (0.53) MEN1KMT2AHRH3NPC1NFKB1
SCHEMBL4768583 0.78 TMPRSS2 (0.62) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL4770392 0.78 HRH3 (0.59) HRH3NPC1NFKB1RAB9ANFKB2
SCHEMBL4794584 0.77 MEN1 (0.48) MEN1KMT2AHRH3SMN1; SMN2HRH1
SCHEMBL5823896 0.77 HRH3 (0.54) KMT2AHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4775002 0.77 RAB9A (0.53) HRH3NPC1NFKB1RAB9ANFKB2
SCHEMBL4768184 0.77 KMT2A (0.49) MEN1KMT2AHRH3NPC1NFKB1
SCHEMBL4793943 0.77 ABCB1 (0.55) MEN1KMT2AHRH3NPC1NFKB1

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed