SCHEMBL12899355

SCHEMBL12899355

CC(=O)N(C)[C@@H]1CC2(CCN(C[C@H]3CC[C@H]4CCC[C@@H](C4)C3)CC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
MCHR2 Q969V1 5/20 0.34
DRD2 P14416 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL12899183 1.00 SIGMAR1 (0.39) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL12899253 0.90 SIGMAR1 (0.37) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL12899366 0.89 KCNH2 (0.40) SIGMAR1OPRL1OPRM1OPRK1KCNH2
SCHEMBL12293597 0.87 SIGMAR1 (0.39) SIGMAR1OPRL1OPRM1OPRK1MCHR2
SCHEMBL12199157 0.86 SIGMAR1 (0.50) SIGMAR1OPRL1OPRM1OPRK1DRD2
SCHEMBL12899386 0.85 SIGMAR1 (0.39) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL13641131 0.84 HSD11B1 (0.36) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL12084560 0.83 OPRM1 (0.39) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL12928366 0.83 OPRM1 (0.39) SIGMAR1OPRL1OPRM1OPRK1HSD11B1
SCHEMBL3548489 0.83 OPRM1 (0.39) SIGMAR1OPRL1OPRM1OPRK1HSD11B1

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