SCHEMBL5540465

SCHEMBL5540465

CC(C)(C)N1CCC(NCCCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.58
SIGMAR1 Q99720 4/20 0.58
GRIN1 Q05586 3/20 0.58
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRL1 P41146 1/20 0.52

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
SCHEMBL5540764 0.91 GRIN2B (0.56) GRIN2BSIGMAR1GRIN1DRD4SLC6A2
SCHEMBL4202104 0.84 GRIN2B (0.68) GRIN2BSIGMAR1GRIN1DRD4SLC6A2
SCHEMBL955623 0.82 ACHE (0.62) GRIN2BDRD4OPRM1OPRL1
SCHEMBL5275183 0.79 SLC6A2 (0.69) GRIN2BSIGMAR1GRIN1SLC6A2SLC6A4
SCHEMBL7693701 0.79 ACHE (0.68) GRIN2BSIGMAR1GRIN1SLC6A2SLC6A4
SCHEMBL5273114 0.79 SLC6A2 (0.69) GRIN2BSIGMAR1GRIN1DRD4SLC6A2
SCHEMBL14093072 0.79 GRIN2B (0.61) GRIN2BSIGMAR1GRIN1OPRM1OPRL1
SCHEMBL5272251 0.78 SLC6A2 (0.67) GRIN2BSIGMAR1GRIN1DRD4SLC6A2
SCHEMBL5266734 0.78 SLC6A2 (0.57) GRIN2BSIGMAR1GRIN1SLC6A2SLC6A4
SCHEMBL11999863 0.78 DRD4 (0.64) GRIN2BSIGMAR1GRIN1DRD4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP disclosed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP disclosed