SCHEMBL29286145

SCHEMBL29286145

O[C@@H]1CCc2ccc[c]c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
CHRM3 P20309 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PLAU P00749 1/20 0.33
HTR1A P08908 3/20 0.32
HTR7 P34969 3/20 0.32
DRD2 P14416 2/20 0.32
HTR1D P28221 2/20 0.32
DRD3 P35462 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 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
SCHEMBL1450412 1.00 ANPEP (0.36) ANPEPCHRM3CYP1A2CYP11B1CYP11B2
SCHEMBL1450861 0.82
SCHEMBL1451246 0.75 ANPEP (0.35) ANPEPSLC18A3
SCHEMBL1450383 0.75 ANPEP (0.35) ANPEPSLC18A3
SCHEMBL1450376 0.75 ANPEP (0.35) ANPEPSLC18A3
SCHEMBL9406421 0.72 HTR1A (0.64) CYP1A2HTR1AHTR7DRD2HTR1D
SCHEMBL8673927 0.71 CHRM2 (0.40) CHRM3PLAUCHRM2CHRM1
SCHEMBL291460 0.71 ANPEP (0.57) ANPEPCYP1A2CYP11B1CYP11B2PLAU
SCHEMBL6951241 0.71 ANPEP (0.57) ANPEPCYP1A2CYP11B1CYP11B2PLAU
SCHEMBL2943529 0.71 ANPEP (0.57) ANPEPCYP1A2CYP11B1CYP11B2PLAU

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
CN-114206847-B Process for producing heterocyclylacetamide derivative 持田制药株式会社 2024-07-16 CN disclosed