SCHEMBL13513573

SCHEMBL13513573

O=C(NCC1CNCCC2CC[C@@H]21)c1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.47
▸ HTR2C P28335 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ CDK16 Q00536 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL12583094 0.82 GSK3B (0.64) GSK3BCDK2CDK16DYRK1A
SCHEMBL12044000 0.80 GSK3B (0.53) GSK3BCDK2CDK16DYRK1A
SCHEMBL1964261 0.80 GSK3B (0.53) GSK3BCDK2CDK16DYRK1A
SCHEMBL15197726 0.80 GSK3B (0.53) GSK3BCDK2CDK16DYRK1A
SCHEMBL12583332 0.76 GSK3B (0.49) GSK3BDYRK1A
SCHEMBL12582502 0.72 GSK3B (0.54) GSK3BCDK2CDK16DYRK1A
SCHEMBL13923944 0.72 CHRNA7 (0.41) GSK3BDYRK1A
SCHEMBL13923945 0.72 CHRNA7 (0.41) GSK3BDYRK1A
SCHEMBL13923943 0.72 CHRNA7 (0.41) GSK3BDYRK1A
SCHEMBL15210880 0.71 GSK3B (0.78) GSK3BCDK2CDK16DYRK1A

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-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP disclosed
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