SCHEMBL12899031

SCHEMBL12899031

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.41
DRD2 P14416 6/20 0.41
KCNH2 Q12809 3/20 0.41
SLC6A4 P31645 2/20 0.41
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
HSD11B1 P28845 2/20 0.38
HSD11B2 P80365 1/20 0.38
HTR2A P28223 5/20 0.38
DRD3 P35462 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
HTR1A P08908 2/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL12899155 0.90 MCHR2 (0.51) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12899004 0.87 MCHR2 (0.51) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12899290 0.86 MCHR2 (0.41) MCHR2DRD2KCNH2SLC6A4HSD11B1
SCHEMBL12899340 0.86 MCHR2 (0.41) MCHR2DRD2KCNH2SLC6A4HSD11B1
SCHEMBL12928700 0.84 MCHR2 (0.42) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL13207224 0.84 MCHR2 (0.42) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12084503 0.84 MCHR2 (0.42) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12989296 0.84 MCHR2 (0.42) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12999705 0.84 MCHR2 (0.42) MCHR2DRD2KCNH2SLC6A4OPRK1
SCHEMBL12899229 0.83 SIGMAR1 (0.39) MCHR2DRD2KCNH2SLC6A4OPRK1

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