SCHEMBL4713865

SCHEMBL4713865

O=CC(OCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GFER P55789 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAD52 P43351 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCB1 P08183 4/20 0.41
CCR3 P51677 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4609928 0.91 TSHR (0.48) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL1902514 0.83 GRM5 (0.55) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL4609669 0.82 GRM5 (0.56) GRM5TP53SLC6A2SLC6A4SLC6A3
SCHEMBL27757105 0.81 GRM5 (0.56) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL9261218 0.76 ADRA2A (0.40) LMNAMAPTGFERALDH1A1TSHR
SCHEMBL4610798 0.76 GRM5 (0.54) GRM5MAPTPOLB
SCHEMBL4610277 0.75 HCAR2 (0.42) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL4467700 0.73 TSHR (0.44) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL27757102 0.73 GRM5 (0.62) GRM5LMNAMAPTSMN1; SMN2GFER
SCHEMBL4608986 0.72 HRH3 (0.40) GRM5SLC6A4

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 disclosed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed