SCHEMBL12899323

SCHEMBL12899323

Fc1ccc2c(c1)C1(CCN(C[C@H]3CC[C@H]4CCC[C@H](C3)O4)CC1)CN2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
OPRL1 P41146 5/20 0.37
OPRK1 P41145 3/20 0.37
SIGMAR1 Q99720 7/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
DRD2 P14416 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL12899439 1.00 OPRM1 (0.37) OPRM1OPRL1OPRK1SIGMAR1TNKS
SCHEMBL12899395 0.88 OPRM1 (0.38) OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL5578842 0.85 OPRM1 (0.45) OPRM1OPRL1OPRK1SIGMAR1TNKS
SCHEMBL12084297 0.82 OPRM1 (0.53) OPRM1OPRL1OPRK1SIGMAR1GRIN2D
SCHEMBL13004093 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084888 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL15339857 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084920 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084762 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084665 0.82 OPRM1 (0.38) OPRM1OPRL1OPRK1TNKSTNKS2

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
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed