SCHEMBL4608926

SCHEMBL4608926

O=CC(OCc1c(F)cccc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 1/20 0.43
IDO1 P14902 1/20 0.41
GRM5 P41594 11/20 0.40
AKR1C3 P42330 1/20 0.36
PPARG P37231 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 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
SCHEMBL1902180 0.88 KMT2A (0.42) SLC6A2SLC6A4SLC6A3GRM5DRD2
SCHEMBL4609000 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3GRM5
SCHEMBL4610088 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3GRM5AKR1C3
SCHEMBL4610011 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3GRM5AKR1C3
SCHEMBL4608428 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3GRM5AKR1C3
SCHEMBL4608871 0.80 KDM4E (0.41) SLC6A2SLC6A4SLC6A3GRM5DRD2
SCHEMBL4608750 0.79 GRM5 (0.56) SLC6A2SLC6A4SLC6A3GRM5
SCHEMBL4610103 0.78 GRM5 (0.59) IDO1GRM5DRD2DRD4
SCHEMBL4610865 0.77 IDO1 (0.42) SLC6A2SLC6A4SLC6A3IDO1GRM5
SCHEMBL4609669 0.77 GRM5 (0.56) SLC6A2SLC6A4SLC6A3GRM5

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