SCHEMBL27666153

SCHEMBL27666153

c1ccc(CC2CN(c3ccc4ncccc4c3)CCN2Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ CHKA P35790 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ ACACB O00763 1/20 0.39

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
SCHEMBL2943836 0.75 SLC6A4 (0.64) CHKACHRNA7
SCHEMBL27666179 0.70 RAB9A (0.62) —
SCHEMBL10482671 0.69 DRD4 (0.55) HTR1A
SCHEMBL2087118 0.69 PDE4A (0.51) —
SCHEMBL682635 0.69 PDE4A (0.51) —
SCHEMBL2085028 0.69 PDE4A (0.50) NR1H2NR1H3
SCHEMBL682509 0.69 PDE4A (0.50) NR1H2NR1H3
SCHEMBL4208987 0.69 CHRNA7 (0.52) HTR1ACHRNA7ACACB
SCHEMBL28874935 0.68 TERT (0.56) HTR1ACHRNA7
SCHEMBL8697900 0.68 NR1H2 (0.49) NR1H2NR1H3

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN disclosed
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