SCHEMBL4770997

SCHEMBL4770997

Cn1cc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
LMNA P02545 1/20 0.73
HRH3 Q9Y5N1 10/20 0.51
DHX9 Q08211 1/20 0.50
MAPT P10636 2/20 0.48
CREBBP Q92793 1/20 0.47
RAB9A P51151 3/20 0.47
HRH1 P35367 1/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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 SCHEMBL4768548 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHRH3DHX9MAPT
SCHEMBL4770289 0.84 HRH3 (0.51) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL4772665 0.83 HRH3 (0.52) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL4765905 0.82 NPC1 (0.69) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL4768020 0.82 SLC2A1 (0.53) ALDH1A1LMNAHRH3MAPTCREBBP
SCHEMBL4768220 0.82 HRH3 (0.49) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL4774583 0.82 HRH3 (0.57) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL6299537 0.82 ALDH1A1 (0.76) ALDH1A1LMNADHX9MAPT
SCHEMBL4770276 0.82 HRH3 (0.49) ALDH1A1LMNAHRH3MAPTRAB9A
SCHEMBL4767467 0.81 HRH3 (0.50) ALDH1A1LMNAHRH3MAPTCREBBP

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