SCHEMBL3159130

SCHEMBL3159130

CC(C)(C)OC(=O)CN1CCC2(CC1)CC2C(=O)N1CCN(C2CCC2)CC1.O=C(C1CC12CCN(c1ccncc1)CC2)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.73
KCNH2 Q12809 1/20 0.49
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL2800743 0.86 HRH3 (0.59) HRH3KCNH2
SCHEMBL2797048 0.85 HRH3 (1.00) HRH3KCNH2
SCHEMBL2798202 0.75 HRH3 (0.74) HRH3KCNH2
SCHEMBL2798554 0.74 HRH3 (0.70) HRH3KCNH2
SCHEMBL2799204 0.74 HRH3 (1.00) HRH3KCNH2
SCHEMBL2799409 0.73 HRH3 (0.67) HRH3KCNH2
SCHEMBL6793505 0.72 HRH3 (0.47) HRH3ITGB3ITGA2B
SCHEMBL2797749 0.71 HRH3 (0.69) HRH3KCNH2
SCHEMBL2799847 0.71 HRH3 (0.69) HRH3KCNH2
SCHEMBL2844348 0.71 HRH3 (0.79) HRH3ITGB3ITGA2B

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-2162452-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2010-03-17 EP disclosed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 WO disclosed