SCHEMBL4214481

SCHEMBL4214481

N#Cc1ccc(N2CC[C@H](NCc3ccc(Cl)cc3Cl)C2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.57
GRM3 Q14832 2/20 0.57
AR P10275 5/20 0.56
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EPHX2 P34913 3/20 0.41
FFAR1 O14842 1/20 0.39
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
F10 P00742 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM1A O60341 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL4214482 1.00 GRM2 (0.57) GRM2GRM3ARBCHEACHE
SCHEMBL13651271 0.92 GRM2 (0.53) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4215940 0.91 GRM2 (0.52) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4215931 0.91 GRM2 (0.52) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4219962 0.91 GRM2 (0.52) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4219956 0.91 GRM2 (0.52) GRM2GRM3ARBCHEACHE
SCHEMBL13651269 0.91 GRM2 (0.54) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4228675 0.90 GRM2 (0.53) GRM2GRM3ARBCHEACHE
Hydrochloric Acid SCHEMBL4228676 0.90 GRM2 (0.53) GRM2GRM3ARBCHEACHE
SCHEMBL13651262 0.88 GRM2 (0.58) GRM2GRM3ARBCHEACHE

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