SCHEMBL3395582

SCHEMBL3395582

O=C1CSc2ccc(N3C[C@@H](CN4CCC(C(=O)O)C4)OC3=O)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HTT P42858 1/20 0.40
F10 P00742 5/20 0.40
F2 P00734 3/20 0.40
SIGMAR1 Q99720 11/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38

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
SCHEMBL18255975 1.00 TRPV1 (0.42) TRPV1HTTF10F2SIGMAR1
SCHEMBL3423065 1.00 TRPV1 (0.42) TRPV1HTTF10F2SIGMAR1
SCHEMBL18255966 1.00 TRPV1 (0.42) TRPV1HTTF10F2SIGMAR1
SCHEMBL3400557 0.93 HTT (0.43) TRPV1HTTF10F2SIGMAR1
SCHEMBL3427823 0.93 HTT (0.43) TRPV1HTTF10F2SIGMAR1
SCHEMBL633751 0.85 SIGMAR1 (0.41) TRPV1SIGMAR1
SCHEMBL633752 0.85 SIGMAR1 (0.41) TRPV1SIGMAR1
SCHEMBL16469444 0.83 SIGMAR1 (0.41) F10SIGMAR1
SCHEMBL16469443 0.83 SIGMAR1 (0.41) F10SIGMAR1
SCHEMBL633033 0.82 HTT (0.38) HTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US claimed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed