SCHEMBL4772665

SCHEMBL4772665

Cn1ncc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.52
RAB9A P51151 6/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HRH1 P35367 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.45
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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 SCHEMBL4764951 0.93 HRH3 (0.47) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4772484 0.85 NPC1 (0.55) HRH3RAB9AHRH1SMN1; SMN2NPC1
SCHEMBL4767869 0.84 HRH3 (0.49) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4765487 0.83 HRH3 (0.50) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4767326 0.83 RAB9A (0.71) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4770997 0.83 ALDH1A1 (0.73) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4774177 0.83 HRH3 (0.69) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4767267 0.82 HRH3 (0.52) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4768220 0.82 HRH3 (0.49) HRH3RAB9AALDH1A1LMNAHRH1
SCHEMBL4772566 0.82 RAB9A (0.57) HRH3RAB9AALDH1A1LMNAHRH1

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