SCHEMBL5043498

SCHEMBL5043498

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(C3=CCOCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.53
▸ DYRK1A Q13627 17/20 0.41
▸ WNT1 P04628 6/20 0.41
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL1176422 1.00 GSK3B (0.53) GSK3BDYRK1AWNT1KCNH2
Formic Acid SCHEMBL5556898 0.97 GSK3B (0.50) GSK3BDYRK1AWNT1KCNH2
SCHEMBL5043690 0.93 GSK3B (0.45) GSK3BDYRK1AWNT1
SCHEMBL1176284 0.93 GSK3B (0.45) GSK3BDYRK1AWNT1
Formic Acid SCHEMBL5562317 0.90 GSK3B (0.43) GSK3BDYRK1AWNT1
SCHEMBL14390881 0.82 GSK3B (0.55) GSK3BDYRK1AWNT1
SCHEMBL5042792 0.82 DYRK1A (0.56) GSK3BDYRK1AWNT1
SCHEMBL1176610 0.82 DYRK1A (0.56) GSK3BDYRK1AWNT1
SCHEMBL2087133 0.81 GSK3B (0.57) GSK3BDYRK1AWNT1KCNH2
SCHEMBL1175586 0.81 DYRK1A (0.56) GSK3BDYRK1AWNT1

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
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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