SCHEMBL21285505

SCHEMBL21285505

CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](n2cc(C(=O)O)c3ccc(N4CCN(c5ccccc5)CC4)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ ACACB O00763 2/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KIF18A Q8NI77 1/20 0.32

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
SCHEMBL22801916 0.90 GPR119 (0.40) PDE10AGPR119JAK2JAK3
SCHEMBL22801958 0.90 GPR119 (0.40) PDE10AGPR119JAK2JAK3
SCHEMBL22822839 0.90 GPR119 (0.40) PDE10AGPR119JAK2JAK3
SCHEMBL22822718 0.85 PDE10A (0.34) PDE10AGPR119MAPTAURKAPDPK1
SCHEMBL21281415 0.84 CPB2 (0.34) PDE10AMAPTAURKAPDPK1AURKB
SCHEMBL21281413 0.83 GPR119 (0.38) PDE10AGPR119AURKAPDPK1AURKB
SCHEMBL22801961 0.83 RET (0.37) PDE10AGPR119PIK3R1PIK3CA
SCHEMBL22822830 0.83 GPR119 (0.39) PDE10AGPR119AURKAPDPK1AURKB
SCHEMBL22801970 0.82 PIK3R1 (0.34) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21268756 0.82 PIK3R1 (0.34) PDE10AAURKAPDPK1AURKBPIK3R1

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-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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