SCHEMBL31244580

SCHEMBL31244580

CO[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.57
P2RY1 P47900 2/20 0.48
DNPH1 O43598 1/20 0.45
PRKAB2 O43741 1/20 0.45
TRPM2 O94759 1/20 0.45
LDHA P00338 1/20 0.45
ADRB2 P07550 1/20 0.45
FBP1 P09467 1/20 0.45
SRC P12931 1/20 0.45
P2RY2 P41231 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
P2RY11 Q96G91 1/20 0.45

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
SCHEMBL29408560 0.85 ADORA1 (0.59) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL28721319 0.84 ADORA1 (0.54) ADORA1P2RY1ADORA3ADORA2A
SCHEMBL29470810 0.84 ADORA1 (0.54) ADORA1P2RY1ADORA3ADORA2A
SCHEMBL3447136 0.84 ADORA3 (0.50) ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL31244582 0.82 NT5E (0.44) ADORA1TAS1R3TAS1R1
SCHEMBL25312492 0.81 ADORA1 (0.55) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL26112188 0.81 ADORA1 (0.52) ADORA1P2RY1ADORA3ADORA2A
SCHEMBL30741572 0.81 ADORA1 (0.53) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL8509111 0.79 ADORA1 (0.47) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL30697341 0.78 P2RX1 (0.61) P2RY1TRPM2SRCP2RY2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118909-A SiRNA duplex for targeted regulation of LPA gene expression and application thereof in preventing and treating cardiovascular and cerebrovascular related diseases 北京悦康科创医药科技股份有限公司 2025-06-10 CN disclosed
CN-119799705-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-11 CN disclosed
CN-119799706-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-11 CN disclosed
CN-119752912-A SiRNA for targeted regulation of HBV gene expression and application thereof 杭州天龙药业有限公司 2025-04-04 CN disclosed
CN-119040330-B SiRNA for regulating and controlling AGT gene expression and application thereof 北京悦康科创医药科技股份有限公司 2025-03-04 CN disclosed
CN-119040330-A SiRNA for regulating and controlling AGT gene expression and application thereof 北京悦康科创医药科技股份有限公司 2024-11-29 CN disclosed
CN-118995714-A SiRNA for targeted inhibition of AGT gene expression and application thereof in treatment of hypertension 北京悦康科创医药科技股份有限公司 2024-11-22 CN disclosed