SCHEMBL5319755

SCHEMBL5319755

c1ccc(C[N]C2CCNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
HRH1 P35367 2/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 2/20 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
SCHEMBL3536653 0.89 GBA1 (0.53) GBA1HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL2242592 0.78 ALDH1A1 (0.41) GBA1
SCHEMBL2241838 0.75 GRIN1 (0.42)
SCHEMBL1796446 0.73 GRIN1 (0.45) SIGMAR1
SCHEMBL3598416 0.71 ACHE (0.46) SLC18A3SIGMAR1
SCHEMBL3598418 0.71 ACHE (0.46) SLC18A3SIGMAR1
SCHEMBL5387078 0.71 ALDH1A1 (0.39) SIGMAR1
Hydrochloric Acid SCHEMBL19385070 0.68 GRIN2B (0.42) GBA1SIGMAR1
SCHEMBL4892499 0.68 GBA1 (0.78) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL892689 0.68 GBA1 (0.78) GBA1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO disclosed