SCHEMBL29410615

SCHEMBL29410615

O=C(O)CCC(=O)N1CCN(C(=O)CCC(=O)N[C@@H]2C(OCc3ccccc3)O[C@@H](CO)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 5/20 0.41
▸ SSTR5 P35346 5/20 0.41
▸ SSTR2 P30874 3/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ TLR4 O00206 1/20 0.38
▸ MCHR1 Q99705 8/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL30530241 0.92 SSTR3 (0.41) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL26349638 0.84 SSTR3 (0.41) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL21058342 0.82 SSTR3 (0.48) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL26349625 0.77 GPR119 (0.39) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL12812851 0.77 TACR2 (0.47) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL15754059 0.77 TACR2 (0.47) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL26354364 0.75 KDM1A (0.42) SLC6A2L3MBTL1
SCHEMBL21058364 0.75 SSTR3 (0.55) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL21058366 0.71 SSTR3 (0.47) SSTR3SSTR5SSTR2SSTR1SSTR4
SCHEMBL21058380 0.71 LMNA (0.48) SSTR3SSTR5SSTR2SSTR1SSTR4

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
EP-4200022-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF Reyoung Corporation (US) 2023-06-28 — — EP disclosed
WO-2022040487-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF REYOUNG CORPORATION (US) 2022-02-24 — — WO disclosed
Send feedback