SCHEMBL4230683

SCHEMBL4230683

Cc1cnc(N2CCC(NCc3ccc(Cl)cc3Cl)C2)nc1Cl

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.71
GRM3 Q14832 2/20 0.71
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
CCR4 P51679 7/20 0.41
P2RX7 Q99572 4/20 0.40
EPHX2 P34913 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TACR1 P25103 1/20 0.37
ADAMTS4 O75173 1/20 0.37

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
SCHEMBL952373 1.00 GRM2 (0.71) GRM2GRM3BCHEACHEBACE1
SCHEMBL950892 0.88 GRM2 (0.71) GRM2GRM3BCHEACHEBACE1
SCHEMBL950893 0.88 GRM2 (0.71) GRM2GRM3BCHEACHEBACE1
SCHEMBL952352 0.87 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL952354 0.87 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL954726 0.86 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
SCHEMBL954728 0.86 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
SCHEMBL953673 0.86 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL955657 0.86 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL4223928 0.83 GRM2 (0.77) GRM2GRM3BCHEACHEBACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed