SCHEMBL5158952

SCHEMBL5158952

COC(=O)c1cnc(Oc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
P2RX3 P56373 1/20 0.35
MTNR1B P49286 1/20 0.35
TP53 P04637 1/20 0.34
GCK P35557 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
CHRM4 P08173 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
SCHEMBL5713479 0.88 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1P2RX3
SCHEMBL5171948 0.87 SLC18A2 (0.33) HRH3
SCHEMBL5713447 0.87 HRH3 (0.37) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5170766 0.84 SMO (0.34) HRH3MTNR1BTP53KDM4C
SCHEMBL5158947 0.83 HRH3 (0.45) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161059 0.83 OPRM1 (0.41) HRH3OPRM1OPRD1OPRK1
SCHEMBL6223629 0.82 HRH3 (0.54) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161964 0.82 HRH3 (0.40) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5551732 0.81 MTNR1B (0.50) MTNR1B
SCHEMBL5159383 0.80 STAT3 (0.37) OPRM1OPRD1OPRK1KDM4C

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