SCHEMBL30836864

SCHEMBL30836864

C=CCCN1CCC(S)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
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
SCHEMBL21088308 0.80 SIGMAR1 (0.38) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL12859352 0.78 CARM1 (0.50) SIGMAR1
SCHEMBL12719804 0.78
SCHEMBL24491782 0.77 SIGMAR1 (0.34) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL2921818 0.77
Methane SCHEMBL2677454 0.76 MAPT (0.35) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL2508744 0.74
SCHEMBL13602691 0.74 CYP2D6 (0.37) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL3411711 0.72 HRH3 (0.48) SIGMAR1
SCHEMBL25432466 0.72 HRH3 (0.48) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324715-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-07-12 CN disclosed
CN-117750962-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-03-22 CN disclosed