SCHEMBL8557058

SCHEMBL8557058

CN(C(=O)c1c[c]ccc1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
NR3C1 P04150 1/20 0.40
GRM1 Q13255 5/20 0.40
HSD17B10 Q99714 7/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL13874336 0.76 GRM1 (0.43) FFAR2NR3C1GRM1HSD17B10RAB9A
SCHEMBL16184434 0.76 GRM1 (0.43) FFAR2NR3C1GRM1HSD17B10KDM4E
SCHEMBL7953771 0.75 TSHR (0.43) GRM1HSD17B10RAB9AKDM4ESMN1; SMN2
SCHEMBL2420556 0.73 PLA2G7 (0.47) RAB9AKDM4ESMN1; SMN2NPC1TP53
SCHEMBL391457 0.72 ALDH1A1 (0.42) RAB9AKDM4ESMN1; SMN2NPC1TP53
SCHEMBL2726306 0.70 NR3C1 (0.45) FFAR2NR3C1GRM1RAB9AKDM4E
SCHEMBL5249375 0.69 NPC1 (0.68) HSD17B10RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL5554909 0.69 KDM4E (0.38) NR3C1RAB9AKDM4ENPC1TP53
SCHEMBL8235098 0.69 NR3C1 (0.42) FFAR2NR3C1GRM1HSD17B10RAB9A
SCHEMBL14591145 0.69 FFAR2 (0.49) FFAR2NR3C1RAB9AKDM4ESMN1; SMN2

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-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed