SCHEMBL4608995

SCHEMBL4608995

O=CC(OCc1ccncc1F)N1CCN(c2ccc(F)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.45
P2RX7 Q99572 4/20 0.38
GPR119 Q8TDV5 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AOC3 Q16853 1/20 0.34
ROCK2 O75116 2/20 0.34
PRKG1 Q13976 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL4610011 0.82 SLC6A2 (0.47) GRM5P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL4610110 0.80 GRM5 (0.42) GRM5GPR119SLC6A2SLC6A4SLC6A3
SCHEMBL4609669 0.79 GRM5 (0.56) GRM5P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL4155422 0.79 GRM5 (0.47) GRM5SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4608859 0.78 GRM5 (0.48) GRM5P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL1902180 0.78 KMT2A (0.42) GRM5SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4608697 0.77 GRM5 (0.44) GRM5KDM4EALDH1A1HSD17B10
SCHEMBL4608127 0.76 GRM5 (0.41) GRM5P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL1902102 0.75 GRM5 (0.74) GRM5
SCHEMBL4608750 0.75 GRM5 (0.56) 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