SCHEMBL3668219

SCHEMBL3668219

NCCc1ccc2[nH]nc(C3CCCCO3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ HTR1D P28221 3/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ PNMT P11086 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HTR1A P08908 3/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL30823749 0.84 GSK3B (0.42) GSK3BHTR1DJAK2PIM1PIM2
SCHEMBL30540792 0.75 RAB9A (0.42) PIM1PIM2
SCHEMBL787833 0.71 GSK3B (0.31) GSK3BPIM1PIM2
SCHEMBL5562287 0.71 KDM4E (0.41) PIM1PIM2
SCHEMBL15740705 0.68 PIM1 (0.33) PIM1PIM2
SCHEMBL14723244 0.68 NPC1 (0.34) —
SCHEMBL31586483 0.66 GAA (0.38) BACE1GSK3BJAK2PIM1PIM2
SCHEMBL29705459 0.64 GRM4 (0.38) GSK3BJAK2PIM1PIM2
SCHEMBL19616582 0.64 MAPK8 (0.30) —
SCHEMBL19616876 0.64 PRKAB2 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
EP-2240467-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-10-20 — — EP disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 — — WO disclosed
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