SCHEMBL4765993

SCHEMBL4765993

CCn1nc(-c2cccs2)cc1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
BLM P54132 1/20 0.41
HRH3 Q9Y5N1 8/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MCHR1 Q99705 1/20 0.38
MLNR O43193 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 1/20 0.38

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 SCHEMBL4765216 0.94 SLC2A1 (0.40) RAB9ANPC1LMNAMAPTNFKB1
SCHEMBL4768724 0.84 BLM (0.46) RAB9ANPC1MAPTNFKB1NFKB2
Trifluoroacetic Acid SCHEMBL4774899 0.79 SLC2A1 (0.43) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL1898414 0.78 MAPT (0.50) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL1900139 0.77 POLB (0.53) RAB9ANPC1LMNAMAPTKDM4E
SCHEMBL4776972 0.77 AURKA (0.54) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL1789786 0.74 HRH3 (0.42) NPC1LMNAHRH3ALDH1A1HPGD
SCHEMBL4777073 0.73 POLB (0.52) RAB9ANPC1HRH3GAAL3MBTL3
SCHEMBL4767967 0.73 HRH3 (0.48) RAB9ANPC1LMNAMAPTNFKB1
SCHEMBL4774439 0.72 RAB9A (0.49) RAB9ANPC1LMNAMAPTNFKB1

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