SCHEMBL3400557

SCHEMBL3400557

O=C1CSc2ccc(N3C[C@@H](CN4CC(C(=O)O)C4)OC3=O)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
SIGMAR1 Q99720 11/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37

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
SCHEMBL3427823 1.00 HTT (0.43) HTTSIGMAR1TRPV1ALDH1A1LMNA
SCHEMBL3395582 0.93 TRPV1 (0.42) HTTSIGMAR1TRPV1F2F10
SCHEMBL18255975 0.93 TRPV1 (0.42) HTTSIGMAR1TRPV1F2F10
SCHEMBL18255966 0.93 TRPV1 (0.42) HTTSIGMAR1TRPV1F2F10
SCHEMBL3423065 0.93 TRPV1 (0.42) HTTSIGMAR1TRPV1F2F10
SCHEMBL633034 0.87 HTT (0.38) HTTSIGMAR1ALDH1A1LMNA
SCHEMBL633033 0.87 HTT (0.38) HTTSIGMAR1ALDH1A1LMNA
SCHEMBL592114 0.85 HTT (0.47) HTTTRPV1ALDH1A1LMNAPOLB
SCHEMBL592115 0.85 HTT (0.47) HTTTRPV1ALDH1A1LMNAPOLB
SCHEMBL16469444 0.84 SIGMAR1 (0.41) SIGMAR1F10

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