SCHEMBL4609680

SCHEMBL4609680

O=CC(OCc1ccncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.59
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
AKR1C3 P42330 1/20 0.36
PHGDH O43175 1/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL4608750 0.85 GRM5 (0.56) GRM5SLC6A2SLC6A4SLC6A3
SCHEMBL4610110 0.80 GRM5 (0.42) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL4610103 0.80 GRM5 (0.59) GRM5
SCHEMBL4610011 0.77 SLC6A2 (0.47) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL4155422 0.77 GRM5 (0.47) GRM5SLC6A2SLC6A4SLC6A3
SCHEMBL4608428 0.77 SLC6A2 (0.46) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL4610300 0.76 GRM5 (0.40) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL4608926 0.76 SLC6A2 (0.43) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL4610088 0.76 SLC6A2 (0.43) GRM5SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL1902180 0.75 KMT2A (0.42) GRM5SLC6A2SLC6A4SLC6A3

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-1979320-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS AstraZeneca AB (SE) 2008-10-15 EP claimed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 WO claimed