SCHEMBL24331528

SCHEMBL24331528

Cc1ccc2[nH]nc(C3CCN(C(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GPR119 Q8TDV5 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ BRD3 Q15059 1/20 0.42

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
SCHEMBL24330400 0.94 CNR1 (0.49) CNR1HTTMAPTGPR119KDM4E
SCHEMBL26911627 0.86 HPGDS (0.49) PDE4BCNR1HTTMAPTGPR119
SCHEMBL31295106 0.86 HPGDS (0.49) PDE4BCNR1HTTMAPTGPR119
SCHEMBL24330049 0.85 HTT (0.49) CNR1HTTMAPTGPR119KDM4E
SCHEMBL24330047 0.82 BRD3 (0.51) CNR1HTTMAPTKDM4ETHRB
SCHEMBL18547676 0.81 CNR1 (0.48) PDE4BCNR1HTTMAPTGPR119
SCHEMBL31358139 0.81 JAK2 (0.54) CNR1GPR119KDM4EJAK2JAK1
SCHEMBL14211589 0.80 HSD11B1 (0.52) PDE4BMAPTGPR119KDM4ETHRB
SCHEMBL18548033 0.80 CNR1 (0.49) PDE4BCNR1HTTMAPTGPR119
SCHEMBL29468210 0.79 JAK2 (0.52) CNR1HTTMAPTGPR119KDM4E

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-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 — — WO disclosed
Send feedback