SCHEMBL21115905

SCHEMBL21115905

CC[C@@]1(C)c2cc(N)ccc2CC[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.37
OPRK1 P41145 12/20 0.37
OPRM1 P35372 10/20 0.36
GRIN2B Q13224 2/20 0.35
TMEM97 Q5BJF2 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL18779753 0.83 OPRD1 (0.41) OPRD1OPRK1OPRM1GRIN2B
SCHEMBL1950165 0.73 OPRM1 (0.44) OPRD1OPRK1OPRM1GRIN2B
SCHEMBL20902460 0.71 OPRD1 (0.36) OPRD1OPRK1OPRM1GRIN2BTMEM97
SCHEMBL1953079 0.67 DRD1 (0.39) OPRD1OPRK1OPRM1GRIN2BTMEM97
SCHEMBL24591822 0.67 POLA1 (0.36) OPRD1OPRK1OPRM1
SCHEMBL21570050 0.66 POLA1 (0.38) OPRD1OPRK1OPRM1GRIN2BTMEM97
SCHEMBL13538862 0.66 PDK2 (0.38) OPRD1OPRK1
SCHEMBL13538865 0.66 PDK2 (0.38) OPRD1OPRK1
SCHEMBL1951446 0.66 GRIN2B (0.37) OPRD1OPRK1OPRM1GRIN2B
SCHEMBL23715381 0.66 OPRD1 (0.44) OPRD1OPRK1OPRM1GRIN2BGRIN2D

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-3074379-B1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS INDIA PVT LTD (IN) 2019-06-26 EP disclosed