SCHEMBL3874679

SCHEMBL3874679

O=C(NC1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1.O=C(c1ccc(F)cc1)N1CCCC(n2cc(-c3ccc(F)cc3)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
CLPP Q16740 1/20 0.46
DYRK1A Q13627 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM5A P29375 1/20 0.44
KMT2A Q03164 3/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CTSC P53634 1/20 0.42
ATM Q13315 1/20 0.42
RCE1 Q9Y256 1/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4680045 1.00 GRM5 (0.46) GRM5CLPPDYRK1ADRD2DRD4
SCHEMBL3887570 0.90 GRM5 (0.54) GRM5CLPPDYRK1ANPC1RAB9A
SCHEMBL408938 0.90 GRM5 (0.54) GRM5CLPPDYRK1ANPC1RAB9A
SCHEMBL3887575 0.89 NPC1 (0.42) GRM5CLPPDRD2DRD4NPC1
SCHEMBL412447 0.83 NPC1 (0.62) GRM5CLPPDRD2DRD4NPC1
SCHEMBL28761878 0.81 BTK (0.44) GRM5CLPPDYRK1ANPC1RAB9A
SCHEMBL414961 0.78 HSD11B1 (0.46) GRM5CLPPKMT2APOLBMEN1
SCHEMBL10211651 0.72 HDAC4 (0.62) DRD2DRD4NPC1RAB9AKMT2A
SCHEMBL409828 0.72 NPC1 (0.56) GRM5NPC1RAB9AKDM5AKMT2A
SCHEMBL3320973 0.72 GLA (0.60) GRM5DRD2DRD4RAB9AKDM5A

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-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP disclosed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP disclosed