SCHEMBL8267252

SCHEMBL8267252

O=C(OC1CC1)N1CCCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.49
TPSD1 Q9BZJ3 12/20 0.49
TPSG1 Q9NRR2 12/20 0.49
CA2 P00918 2/20 0.46
CHKA P35790 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.38
PRSS1 P07477 4/20 0.37
F2 P00734 2/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL28796541 0.89 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL951611 0.89 TPSAB1 (0.58) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL7425278 0.89 TPSAB1 (0.58) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL24855882 0.87 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CA2CHKA
Hydrochloric Acid SCHEMBL7419974 0.87 TPSAB1 (0.57) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL30743824 0.87 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CA2CHKA
Hydrochloric Acid SCHEMBL8188321 0.87 TPSAB1 (0.57) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL17479229 0.87 TPSAB1 (0.52) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL26929377 0.86 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CA2CHKA
SCHEMBL28067576 0.85 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CA2CHKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 WO disclosed