SCHEMBL30686398

SCHEMBL30686398

CCn1cncc1Cn1cnc2ccc(C(=O)O)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 7/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
PABPC1 P11940 1/20 0.37
KCNH2 Q12809 2/20 0.36
HDAC6 Q9UBN7 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30233041 0.87 CYP11B1 (0.38) GLP1RKMT2AKCNH2HDAC6CYP11B1
SCHEMBL29555937 0.76 FGFR1 (0.45) GLP1RRAB9AALDH1A1LMNAFGFR1
Hydrochloric Acid SCHEMBL30538760 0.75 FGFR1 (0.44) GLP1RRAB9AALDH1A1LMNAFGFR1
SCHEMBL29480809 0.72 ADORA2A (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL30538783 0.71 MEN1 (0.43) GLP1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL29556035 0.71 MEN1 (0.41) GLP1RMEN1KMT2ATP53PABPC1
SCHEMBL23530019 0.69 CYP1A2 (0.50) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL29549645 0.69 CYP1A2 (0.50) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL29480784 0.69 APAF1 (0.39) MEN1KMT2ATP53PABPC1KDM4E
SCHEMBL29559350 0.69 BRD4 (0.47) RAB9AKDM4ELMNACYP1A2CYP3A4

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