SCHEMBL31069871

SCHEMBL31069871

C[C@@H]1NCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.61
GAA P10253 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
DRD2 P14416 2/20 0.52
TSHR P16473 2/20 0.52
MAOA P21397 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD3 P35462 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD4 P21917 1/20 0.52
SLC22A1 O15245 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.51

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
SCHEMBL29658057 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29658056 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL1011611 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29658050 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL327738 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL1010378 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29384464 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2262788 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B
Bromide SCHEMBL17674654 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL19349458 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118516325-A Immobilized enzyme biocatalyst and application thereof in catalytic synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-20 CN claimed
CN-118421581-A Imine reductase and application thereof in synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-02 CN claimed
CN-118516325-A Immobilized enzyme biocatalyst and application thereof in catalytic synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-20 CN disclosed
CN-118516325-A Immobilized enzyme biocatalyst and application thereof in catalytic synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-20 CN disclosed
CN-118516325-A Immobilized enzyme biocatalyst and application thereof in catalytic synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-20 CN disclosed
CN-118421581-A Imine reductase and application thereof in synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-02 CN disclosed
CN-118421581-A Imine reductase and application thereof in synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-02 CN disclosed
CN-118421581-A Imine reductase and application thereof in synthesis of (S) -1-methyl-1, 2,3, 4-tetrahydroisoquinoline 河北工业大学 2024-08-02 CN disclosed