SCHEMBL6928232

SCHEMBL6928232

CC(C)(C)OC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACHE P22303 1/20 0.51
YAP1 P46937 2/20 0.51
TLR9 Q9NR96 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
KIT P10721 1/20 0.50
FLT3 P36888 1/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR2 Q92731 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
PDK2 Q15119 1/20 0.49
GRM5 P41594 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL2883449 0.88 GPR119 (0.58) GPR119MAPTKDM4EALDH1A1LMNA
SCHEMBL27380046 0.88 YAP1 (0.54) GPR119KDM4EYAP1HPGDHTT
SCHEMBL4927184 0.87 GPR119 (0.54) GPR119NPSR1ACHEYAP1TLR9
SCHEMBL20510744 0.86 GPR119 (0.48) GPR119YAP1GRM5
SCHEMBL6263583 0.86 GPR119 (0.61) GPR119ACHEYAP1TLR9TLR7
SCHEMBL27379977 0.86 GPR119 (0.45) GPR119MAPTKDM4EALDH1A1LMNA
SCHEMBL2195644 0.85 FAAH (0.65) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL11889863 0.85 MAPT (0.65) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL17658994 0.84 GPR119 (0.54) GPR119ACHEYAP1TLR9TLR7
SCHEMBL5235873 0.84 GPR119 (0.54) GPR119MAPTKDM4EALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 WO disclosed