SCHEMBL4609707

SCHEMBL4609707

Cc1ccc(Cl)cc1N1CCN(C(C=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GRM5 P41594 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL27756994 0.83 KDM4E (0.49) MAPTLMNAHTTUSP2ALDH1A1
SCHEMBL4609669 0.79 GRM5 (0.56) MEN1KMT2ATP53GRM5TDP1
SCHEMBL4609928 0.77 TSHR (0.48) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL4608750 0.77 GRM5 (0.56) GRM5
SCHEMBL27756990 0.77 KDM4E (0.53) MAPTLMNAHTTUSP2ALDH1A1
SCHEMBL4610103 0.76 GRM5 (0.59) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL1902514 0.76 GRM5 (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4610277 0.74 HCAR2 (0.42) MAPTLMNAUSP2ALDH1A1NPSR1
SCHEMBL4610088 0.74 SLC6A2 (0.43) GRM5
SCHEMBL1902180 0.73 KMT2A (0.42) MAPTLMNAALDH1A1KMT2AKDM4E

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