SCHEMBL4765481

SCHEMBL4765481

Cn1nc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH1 P35367 1/20 0.41
CCKBR P32239 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CREBBP Q92793 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 SCHEMBL4765255 0.96 SLC2A1 (0.43) HRH3RAB9ANPC1TP53GAA
SCHEMBL4768623 0.80 RAB9A (0.58) HRH3RAB9ANPC1TP53GAA
SCHEMBL4771087 0.80 AURKA (0.58) TP53SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4767717 0.79 MEN1 (0.58) HRH3RAB9ANPC1TP53GAA
SCHEMBL4768161 0.79 POLB (0.56) HRH3RAB9ANPC1TP53GAA
SCHEMBL4767370 0.78 MEN1 (0.58) HRH3RAB9ANPC1TP53GAA
SCHEMBL4772665 0.78 HRH3 (0.52) HRH3RAB9ANPC1TP53GAA
SCHEMBL5823896 0.78 HRH3 (0.54) HRH3RAB9ANPC1TP53HTT
Trifluoroacetic Acid SCHEMBL4765400 0.77 AURKA (0.52) RAB9ATP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL4777120 0.77 NPY5R (0.54) HRH3RAB9ANPC1TP53NFKB1

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