SCHEMBL4991491

SCHEMBL4991491

Nc1cccc2c1CCN(Cc1ccccc1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.58
LMNA P02545 6/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.52
PKM P14618 2/20 0.48
GRM5 P41594 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL3000762 0.83 DHPS (0.60) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL2998761 0.82 DHPS (0.62) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5812457 0.81 DHPS (0.58) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL23952349 0.79 SMN1; SMN2 (0.89) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL29657194 0.77 GRM5 (0.64) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5202887 0.77 DHPS (0.54) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
Hydrochloric Acid SCHEMBL16268410 0.76 GRM5 (0.45) SMN1; SMN2LMNAL3MBTL1ALDH1A1HTT
SCHEMBL5864048 0.75 DHPS (0.58) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5201380 0.75 DRD3 (0.54) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5946819 0.73 GRM5 (0.67) DHPSGRM5POLBDDB1CRBN

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
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed