SCHEMBL4771101

SCHEMBL4771101

CCc1c(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)nnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
POLB P06746 1/20 0.43
ROCK1 Q13464 1/20 0.42
AXL P30530 2/20 0.42
TP53 P04637 2/20 0.41
CYP2D6 P10635 2/20 0.41
HRH1 P35367 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ETV6 P41212 1/20 0.39
USP2 O75604 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 SCHEMBL4772218 0.96 SLC2A1 (0.42) HRH3POLBROCK1AXLTP53
SCHEMBL4765386 0.88 TP53 (0.55) HRH3TP53SMN1; SMN2NPC1GAA
SCHEMBL4765254 0.86 AXL (0.43) HRH3AXLTP53CYP2D6HRH1
Trifluoroacetic Acid SCHEMBL4764992 0.84 TP53 (0.51) HRH3ROCK1TP53SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL4765302 0.83 AXL (0.42) HRH3AXLTP53CYP2D6SMN1; SMN2
SCHEMBL4765564 0.80 HRH3 (0.46) HRH3TP53CYP2D6HRH1SMN1; SMN2
SCHEMBL4765178 0.79 ALDH1A1 (0.58) HRH3POLBGAAHTT
Hydrochloric Acid SCHEMBL4765416 0.79 ALDH1A1 (0.57) POLBGAAHTT
SCHEMBL4768161 0.78 POLB (0.56) HRH3POLBTP53HRH1SMN1; SMN2
SCHEMBL4777120 0.78 NPY5R (0.54) HRH3TP53SMN1; SMN2NPC1NFKB1

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