SCHEMBL5158947

SCHEMBL5158947

COC(=O)c1cnc(Oc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
HRH1 P35367 1/20 0.45
P2RX3 P56373 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
FAAH O00519 4/20 0.33
PDE4B Q07343 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5713478 0.88 HRH3 (0.45) HRH3PDE4BOPRM1OPRD1OPRK1
SCHEMBL5713443 0.86 HRH3 (0.39) HRH3HRH1P2RX3OPRM1OPRD1
SCHEMBL5171940 0.86 CYP4F2 (0.35) HRH3HRH1
SCHEMBL5158952 0.83 HRH3 (0.43) HRH3HRH1P2RX3OPRM1OPRD1
SCHEMBL5161049 0.83 HRH3 (0.39) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5170762 0.81 SMO (0.33)
SCHEMBL6223627 0.81 HRH3 (0.56) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161959 0.81 HRH3 (0.42) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5551729 0.79 ESR1 (0.47) ESR1ESR2
SCHEMBL5159375 0.79 STAT3 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756094-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
WO-2005123723-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed