SCHEMBL22052004

SCHEMBL22052004

C[C@H]1Cc2ccccc2C1S

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PRCP P42785 1/20 0.39
KDM1A O60341 4/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 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
SCHEMBL31124279 0.77 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL410055 0.77 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19200908 0.77 OPRM1 (0.41) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21473257 0.76 ANPEP (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13883959 0.76 ANPEP (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18033732 0.76 ANPEP (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24821526 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL599175 0.74 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13873035 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1735309 0.74 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A

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
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO disclosed