SCHEMBL30686426

SCHEMBL30686426

COC(=O)c1ccc2nc(C)n(Cc3cncn3CC3CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ PTGER4 P35408 1/20 0.42
▸ ACSS2 Q9NR19 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GLP1R P43220 2/20 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
SCHEMBL27111057 0.88 GLP1R (0.41) PTGER4ACSS2LCKCNR2CNR1
SCHEMBL30686438 0.88 GLP1R (0.41) PTGER4ACSS2LCKCNR2CNR1
SCHEMBL30232970 0.83 BRD4 (0.46) CNR2CNR1
SCHEMBL24900035 0.77 ACSS2 (0.47) KDM4EACSS2LCKGLP1R
SCHEMBL30020641 0.77 ACSS2 (0.47) KDM4EACSS2LCKGLP1R
SCHEMBL29826815 0.76 ACSS2 (0.46) KDM4EACSS2LCKCYP3A4CYP2C9
SCHEMBL30740795 0.76 ACSS2 (0.46) KDM4EACSS2LCKCYP3A4CYP2C9
SCHEMBL24265338 0.75 ACSS2 (0.46) KDM4EACSS2LCKCYP3A4CYP2C9
SCHEMBL29826142 0.75 ACSS2 (0.46) KDM4EPTGER4ACSS2LCKALDH1A1
SCHEMBL28839348 0.74 KDM4E (0.54) KDM4EPTGER4ACSS2ALDH1A1LMNA

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-117242067-B Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2025-03-25 — — CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 — — CN disclosed
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