SCHEMBL6258609

SCHEMBL6258609

COc1cccc(N2CC(I)N3CCCC2CC3)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
ALOX5 P09917 2/20 0.39
ACACB O00763 1/20 0.34
C5AR1 P21730 1/20 0.34
KDM2B Q8NHM5 7/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CHRM4 P08173 2/20 0.32

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
SCHEMBL5108503 0.78 ALOX5 (0.40) HRH3ALOX5CHRM4
SCHEMBL5107827 0.77 ALOX5 (0.42) HRH3ALOX5ACACBC5AR1CCNA2
SCHEMBL5115597 0.75 ALOX5 (0.41) HRH3ALOX5ACACBC5AR1CCNA2
SCHEMBL5107733 0.72 ALOX5 (0.43) HRH3ALOX5ACACBC5AR1CCNA2
Hydrochloric Acid SCHEMBL5116833 0.71 ALOX5 (0.42) HRH3ALOX5ACACBC5AR1CCNA2
SCHEMBL5116039 0.70 ALOX5 (0.46) HRH3ALOX5ACACBC5AR1CCNA2
SCHEMBL6254453 0.69 CHRNA7 (0.50)
SCHEMBL6253234 0.68 CHRM4 (0.39) HRH3KDM2BCHRM4
SCHEMBL26251506 0.67 HRH3 (0.41) HRH3ALOX5ACACBCCNA2CDK2
SCHEMBL29904626 0.66 HRH3 (0.48) HRH3C5AR1

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-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO claimed