SCHEMBL4770901

SCHEMBL4770901

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cc2ccccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.56
HRH1 P35367 1/20 0.52
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HTT P42858 1/20 0.46
CHRNA7 P36544 1/20 0.45
CYP2D6 P10635 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 SCHEMBL4770760 0.94 HRH3 (0.50) HRH3HRH1ABCB1ABCG2NPC1
SCHEMBL5823896 0.85 HRH3 (0.54) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4775002 0.85 RAB9A (0.53) HRH3HRH1ABCB1ABCG2NPC1
SCHEMBL4772566 0.84 RAB9A (0.57) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4794145 0.84 MAPT (0.53) HRH3ABCB1ABCG2NPC1RAB9A
SCHEMBL4765521 0.83 HRH3 (0.57) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4774177 0.83 HRH3 (0.69) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4770900 0.83 HRH3 (0.56) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4771503 0.83 HRH3 (0.56) HRH3HRH1NPC1TP53RAB9A
SCHEMBL4767326 0.83 RAB9A (0.71) HRH3HRH1NPC1TP53RAB9A

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