SCHEMBL4765254

SCHEMBL4765254

CCc1nnn(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.43
HRH3 Q9Y5N1 9/20 0.42
ETV6 P41212 3/20 0.41
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 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
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MLNR O43193 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
HRH1 P35367 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 SCHEMBL4765302 0.95 AXL (0.42) AXLHRH3ETV6BLMSMN1; SMN2
SCHEMBL4771101 0.86 HRH3 (0.44) AXLHRH3ETV6SMN1; SMN2NPC1
SCHEMBL4765386 0.83 TP53 (0.55) HRH3SMN1; SMN2NPC1TP53GAA
Trifluoroacetic Acid SCHEMBL4772218 0.82 SLC2A1 (0.42) AXLHRH3ETV6SMN1; SMN2NPC1
SCHEMBL4771970 0.81 HRH3 (0.40) HRH3SMN1; SMN2NPC1TP53GAA
SCHEMBL4773051 0.80 MAPT (0.56) AXLHRH3SMN1; SMN2NPC1TP53
SCHEMBL4765564 0.80 HRH3 (0.46) HRH3SMN1; SMN2NPC1TP53GAA
Trifluoroacetic Acid SCHEMBL4764992 0.79 TP53 (0.51) HRH3SMN1; SMN2TP53GAAHTT
SCHEMBL4777120 0.78 NPY5R (0.54) HRH3SMN1; SMN2NPC1TP53NFKB1
SCHEMBL4768299 0.78 KMT2A (0.59) HRH3

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