SCHEMBL4777073

SCHEMBL4777073

CCCc1cc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GAA P10253 2/20 0.48
JAK1 P23458 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
MLNR O43193 1/20 0.45
GFER P55789 1/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
HRH1 P35367 1/20 0.41

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 SCHEMBL4772057 0.94 POLB (0.47) POLBGAAJAK1HRH3MLNR
SCHEMBL4767967 0.85 HRH3 (0.48) HRH3RAB9ANPC1HRH1
SCHEMBL4768406 0.83 HRH3 (0.46) HRH3RAB9AHRH1
SCHEMBL4768724 0.79 BLM (0.46) POLBGAAHRH3MLNRRAB9A
Trifluoroacetic Acid SCHEMBL4775304 0.78 SLC2A1 (0.43) POLBHRH3HRH1
SCHEMBL4767869 0.77 HRH3 (0.49) GAAHRH3MLNRRAB9ANPC1
SCHEMBL4765424 0.77 HRH3 (0.47) GAAHRH3RAB9ANPC1HRH1
SCHEMBL4772665 0.76 HRH3 (0.52) GAAHRH3RAB9ANPC1HRH1
SCHEMBL4771567 0.76 ROCK2 (0.46) GAAHRH3RAB9ANPC1
SCHEMBL4767267 0.75 HRH3 (0.52) GAAHRH3RAB9ANPC1HRH1

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