SCHEMBL8337489

SCHEMBL8337489

COCCC(c1nc(Nc2ccc(C)cc2)cc(N2CCCCC2)n1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 16/20 0.44
GALR1 P47211 5/20 0.40
AURKA O14965 1/20 0.37
RIPK1 Q13546 1/20 0.37
AURKB Q96GD4 1/20 0.37
APAF1 O14727 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PPP1CA P62136 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL3246418 0.76 GALR2 (0.44) GALR2GALR1AURKARIPK1AURKB
SCHEMBL3245944 0.74 SLC29A1 (0.48) GALR2GALR1APAF1GAAMAPT
SCHEMBL3245932 0.71 GALR2 (0.61) GALR2GALR1APAF1GAAMAPT
SCHEMBL3242653 0.70 GALR2 (0.45) GALR2GALR1AURKARIPK1AURKB
SCHEMBL10143556 0.69 GALR2 (0.80) GALR2GALR1AURKA
SCHEMBL3244088 0.67 GALR2 (0.62) GALR2GALR1AURKARIPK1AURKB
SCHEMBL10143740 0.67 GALR2 (0.67) GALR2GALR1
SCHEMBL3247402 0.67 GALR2 (0.62) GALR2GALR1AURKARIPK1AURKB
SCHEMBL3240506 0.66 GALR2 (0.48) GALR2GALR1APAF1GAAMAPT
SCHEMBL3246321 0.66 CASP1 (0.59) GALR2GALR1APAF1GAAMAPT

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
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed