SCHEMBL1543355

SCHEMBL1543355

O=C(N[C@H]1CCCC(CNC(=O)[C@@H]2CCCN2)C1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
BUB1 O43683 1/20 0.43
MMP2 P08253 2/20 0.43
ANPEP P15144 2/20 0.43
RORC P51449 1/20 0.42
HTT P42858 2/20 0.41
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
KAT8 Q9H7Z6 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1543353 0.79 GRM5 (0.64) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL3090984 0.79 HPGDS (0.51) GRM5
SCHEMBL3090998 0.79 HPGDS (0.51) GRM5
SCHEMBL1543865 0.78 GRM5 (0.53) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL14490487 0.77 HTT (0.53) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL3427969 0.75 ALDH1A1 (0.70) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL3427705 0.72 ALDH1A1 (0.74) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28788248 0.71 THRB (0.51) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10143960 0.71 ALDH1A1 (0.77) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4414127 0.71 ALDH1A1 (0.77) GRM5ALDH1A1L3MBTL1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed