SCHEMBL4609858

SCHEMBL4609858

O=CC(OCc1cscn1)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
CNR2 P34972 1/20 0.39
KMT2A Q03164 1/20 0.37
OGA O60502 1/20 0.37
NMT1 P30419 1/20 0.37
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 2/20 0.36
DRD2 P14416 5/20 0.35
PANK3 Q9H999 1/20 0.35
DEGS1 O15121 1/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 3/20 0.35
HTR7 P34969 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34

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
SCHEMBL27736432 0.84 GRM5 (0.44) GRM5CNR2KMT2AOGANMT1
SCHEMBL4609788 0.80 ME2 (0.43) CNR2KMT2AOGAAOC3DRD2
SCHEMBL27736429 0.78 GRM5 (0.48) GRM5KMT2AOGAAOC3DRD2
SCHEMBL1902271 0.74 GRM5 (0.73) GRM5ME2ME1ME3
SCHEMBL2124732 0.71 CNR2 (0.49) CNR2KMT2AOGAAOC3DRD2
SCHEMBL27736425 0.69 GRM5 (0.45) GRM5CNR2KMT2AOGANMT1
SCHEMBL4611088 0.68 SMN1; SMN2 (0.43) GRM5KMT2ADRD2DRD4DRD3
SCHEMBL4608986 0.67 HRH3 (0.40) GRM5DRD2DRD4DRD3HTR7
SCHEMBL4610865 0.67 IDO1 (0.42) GRM5SLC6A3DRD2DRD3
SCHEMBL27736430 0.66 GRM5 (0.43) GRM5CNR2OGAAOC3DRD2

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