SCHEMBL6258268

SCHEMBL6258268

CC(C)(C)OC(=O)N1CCC(Oc2cccc3nc(-c4cccs4)c(-c4cccs4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ KDM1A O60341 1/20 0.47
▸ TGFBR1 P36897 1/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40

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
SCHEMBL7466506 0.77 GPR119 (0.46) GPR119GBA1KDM1APDE4B
SCHEMBL3805418 0.75 KDM1A (0.53) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL3706690 0.74 KDM1A (0.52) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL2499402 0.74 IKBKB (0.57) GPR119GBA1KDM1APDE4APDE4B
SCHEMBL213729 0.73 KDM1A (0.56) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL5454387 0.72 GPR119 (0.57) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL30659313 0.72 GPR119 (0.53) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL3713722 0.72 KDM1A (0.50) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL3714938 0.72 KDM1A (0.50) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL1632232 0.72 KDM1A (0.50) GPR119KDM1APDE4APDE4BPDE4C

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 — — WO disclosed
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