SCHEMBL6144192

SCHEMBL6144192

CCN1CCCc2cc(OCCCC3CCCNC3)ccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
HRH3 Q9Y5N1 6/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL6632127 0.95 ITGB3 (0.61) ITGB3ITGA2BHRH3
SCHEMBL6144124 0.80 ITGB3 (0.46) ITGB3ITGA2BHRH3
SCHEMBL6634225 0.79 ITGB3 (0.47) ITGB3ITGA2BHRH3
SCHEMBL6071260 0.76 HRH3 (0.72) HRH3
SCHEMBL4054583 0.74 HRH3 (0.63) ITGB3ITGA2BHRH3
SCHEMBL6071362 0.73 PRMT5 (0.57) ITGB3ITGA2BHRH3PRMT5WDR77
SCHEMBL6630382 0.73 DRD2 (0.47) ITGB3ITGA2BHRH3
SCHEMBL6143807 0.73 GPR119 (0.49) ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL6632289 0.71 HRH3 (0.55) ITGB3ITGA2BHRH3
SCHEMBL7794705 0.71 NPY1R (0.41)

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-1539704-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-06-15 EP disclosed
WO-2004018432-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed