SCHEMBL4609869

SCHEMBL4609869

CC1CN(c2ccc(F)cc2Cl)CCN1C(C=O)OCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.49
ROCK2 O75116 2/20 0.37
PRKG1 Q13976 2/20 0.37
HSD11B1 P28845 10/20 0.36
CYP1A2 P05177 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
SCHEMBL1901764 0.75 GRM5 (0.71) GRM5ROCK2PRKG1
SCHEMBL4609669 0.73 GRM5 (0.56) GRM5
SCHEMBL4608750 0.73 GRM5 (0.56) GRM5
SCHEMBL4610030 0.73 GRM5 (0.43) GRM5CYP1A2
SCHEMBL4608995 0.70 GRM5 (0.45) GRM5ROCK2PRKG1
SCHEMBL4608127 0.70 GRM5 (0.41) GRM5
SCHEMBL4155422 0.67 GRM5 (0.47) GRM5
SCHEMBL4608859 0.67 GRM5 (0.48) GRM5CYP1A2
SCHEMBL4608986 0.66 HRH3 (0.40) GRM5
SCHEMBL1904664 0.66 GRM5 (1.00) GRM5

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