SCHEMBL31111503

SCHEMBL31111503

CC(C)(C)OC(=O)N1CCC(c2cccc(N)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.57
GPR119 Q8TDV5 3/20 0.49
TP53 P04637 4/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
NR1H2 P55055 1/20 0.47
USP30 Q70CQ3 3/20 0.47
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.46
HPGDS O60760 1/20 0.45
STS P08842 1/20 0.45

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
SCHEMBL528060 1.00 PDE4B (0.57) PDE4BGPR119TP53MAPTKDM4E
SCHEMBL1439746 0.94 PDE4B (0.51) PDE4BGPR119NR1H2USP30HPGDS
SCHEMBL835855 0.93 GPR119 (0.54) PDE4BGPR119MAPTKDM4ETHRB
SCHEMBL30376009 0.93 GPR119 (0.54) PDE4BGPR119MAPTKDM4ETHRB
SCHEMBL4189282 0.90 NR1H2 (0.48) PDE4BGPR119TP53MAPTKDM4E
SCHEMBL12320994 0.86 GPR119 (0.59) PDE4BGPR119TP53MAPTKDM4E
SCHEMBL22608979 0.86 PDE4B (0.58) PDE4BGPR119TP53MAPTKDM4E
SCHEMBL29880399 0.86 GPR119 (0.59) PDE4BGPR119TP53MAPTKDM4E
SCHEMBL1546194 0.86 PDE4B (0.56) PDE4BTP53MAPTLMNA
SCHEMBL29880252 0.86 PDE4B (0.58) PDE4BGPR119TP53MAPTKDM4E

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed