SCHEMBL29149731

SCHEMBL29149731

CC(C)(C)OC(=O)N1CCC(c2cccc(OC3(c4ccc(C#N)cc4F)CC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.41
▸ GLP1R P43220 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CETP P11597 1/20 0.39
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL29924836 0.88 GLP1R (0.43) GPR119GLP1R
SCHEMBL29149929 0.88 TRPV3 (0.44) GPR119TRPV3
SCHEMBL29556921 0.82 GPR119 (0.56) GPR119GLP1R
SCHEMBL20266521 0.82 GPR119 (0.56) GPR119GLP1R
SCHEMBL31192693 0.80 GPR119 (0.51) GPR119IRAK4TRPV3GLP1RJAK2
SCHEMBL31143232 0.80 GLP1R (0.35) GLP1R
SCHEMBL31192683 0.79 GPR119 (0.54) GPR119IRAK4TRPV3
SCHEMBL22933035 0.77 GPR119 (0.53) GPR119TRPV3GLP1RJAK2JAK3
SCHEMBL22933040 0.77 GPR119 (0.53) GPR119TRPV3JAK2JAK3PTK2
SCHEMBL20346929 0.77 GPR119 (0.58) GPR119IRAK4JAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 — — CN disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 — — WO disclosed
Send feedback