SCHEMBL6465790

SCHEMBL6465790

N[C@@H](CO)C(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CHKA P35790 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
DPP4 P27487 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
PLAU P00749 2/20 0.34
PLAUR Q03405 2/20 0.34

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
SCHEMBL10842135 1.00 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL25055402 0.85
SCHEMBL22248848 0.84 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL14850861 0.84 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL20386751 0.84 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL5166906 0.82 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL5166901 0.82 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL5105226 0.81 DPP7 (0.43) DPP4DPP7
SCHEMBL23514547 0.81 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL23514439 0.81 CA2 (0.39) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20050142581-A1 Microrna as ligands and target molecules ISIS PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-6770486-B1 IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-0190472-A1 New pharmaceutical compositions having anti-psychotic properties DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-08-13 EP disclosed