SCHEMBL21971702

SCHEMBL21971702

C=CCN(C)[C@H]1CCSC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL7587788 0.77
SCHEMBL18967172 0.74
SCHEMBL8445896 0.73 KDM4E (0.44) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL2085603 0.71
SCHEMBL3683421 0.71 KDM4E (0.47) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL2104293 0.71
SCHEMBL11675895 0.69 SIGMAR1 (0.35) SIGMAR1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL313364 0.69
Iodide SCHEMBL3090044 0.69
SCHEMBL14984946 0.68 OPRM1 (0.34) SIGMAR1OPRM1OPRD1OPRK1

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
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed