SCHEMBL5267941

SCHEMBL5267941

c1ccc(CC2(c3ccccc3)CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL49169 0.98 DPP4 (0.59) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL10606332 0.96 DPP4 (0.55) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9618804 0.85 ADRB2 (0.50) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL29386486 0.85 SLC6A3 (0.59) DPP4SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL9741797 0.83 MAOA (0.45) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1169437 0.83 DPP4 (0.43) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL367356 0.79 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL12982312 0.78 MAOA (0.44) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL12982717 0.78 KDM1A (0.45) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL25341004 0.77 DPP4 (0.53) DPP4SLC6A4SLC6A2SLC6A3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP claimed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP claimed