SCHEMBL6804350

SCHEMBL6804350

Cc1ccc(CN2CC3CN(C=O)CC3C2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.43
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
COMT P21964 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KMT2A Q03164 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
SCHEMBL6363842 0.79 GRIN2B (0.45) GRIN2BALDH1A1GAACOMTS1PR1
SCHEMBL6355947 0.78 GRIN2B (0.41) GRIN2BMAPK1ALDH1A1TDP1LMNA
SCHEMBL6363840 0.76 GRIN2B (0.45) GRIN2BALDH1A1GAACOMTS1PR1
SCHEMBL20831282 0.73 MAPK1 (0.41) GRIN2BMAPK1ALDH1A1TDP1LMNA
SCHEMBL6796312 0.72 GRIN2B (0.42) GRIN2BALDH1A1GAACOMTMAPT
SCHEMBL860416 0.70 GRIN2B (0.38) GRIN2BLMNACOMTS1PR1S1PR5
SCHEMBL2598867 0.70 GRIN2B (0.38) GRIN2BLMNACOMTS1PR1S1PR5
SCHEMBL861683 0.70 GRIN2B (0.38) GRIN2BLMNACOMTS1PR1S1PR5
SCHEMBL2598868 0.70 GRIN2B (0.38) GRIN2BLMNACOMTS1PR1S1PR5
SCHEMBL6796136 0.70 GRIN2B (0.58) GRIN2BMAPK1ALDH1A1TDP1LMNA

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-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed