SCHEMBL29924969

SCHEMBL29924969

CC(C)(C)OC(=O)N1CCN(Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 20/20 0.54
HTR1A P08908 1/20 0.50
CYP2C8 P10632 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL29103539 0.92 GLP1R (0.46) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL29826525 0.92 GLP1R (0.46) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL29103543 0.92 GLP1R (0.46) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL28693912 0.88 GLP1R (0.47) GLP1R
SCHEMBL22391789 0.88 GLP1R (0.47) GLP1R
SCHEMBL24793851 0.84 GLP1R (0.59) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL27477841 0.83 GLP1R (0.58) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL29826147 0.82 GLP1R (0.58) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL29103599 0.82 GLP1R (0.58) GLP1RHTR1ACYP2C8KCNH2
SCHEMBL25089540 0.82 GLP1R (0.58) GLP1RHTR1ACYP2C8KCNH2

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-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