SCHEMBL4219784

SCHEMBL4219784

Fc1cnc(N2CC[C@H](NCc3ccc(Cl)cc3Cl)C2)nc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.80
GRM3 Q14832 2/20 0.80
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
P2RX7 Q99572 2/20 0.49
ADAMTS4 O75173 1/20 0.46
CXCR3 P49682 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
EPHX2 P34913 5/20 0.41
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
KDM1A O60341 1/20 0.38
CCR4 P51679 1/20 0.38

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
SCHEMBL4219788 1.00 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL955657 0.92 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL953673 0.92 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL952352 0.89 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL950584 0.89 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL952354 0.89 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL950586 0.89 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952984 0.88 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952981 0.88 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
SCHEMBL950893 0.87 GRM2 (0.71) 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