SCHEMBL30728635

SCHEMBL30728635

O=C1CCc2cc(OCCCN3CCN(c4nsc5ccccc45)CC3)cc3c2N1CC3

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.64
HTR1A P08908 4/20 0.63
HTR2A P28223 4/20 0.63
HTR7 P34969 1/20 0.63
HTR6 P50406 1/20 0.63

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
SCHEMBL23409245 1.00 DRD2 (0.64) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL30728641 0.97 DRD2 (0.67) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL23409238 0.97 DRD2 (0.67) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL20489615 0.87 HTR1A (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL23409230 0.87 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL30728646 0.87 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL18823620 0.86 HTR1A (0.55) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL23409258 0.85 DRD2 (0.55) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL23409256 0.85 DRD2 (0.55) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL30728637 0.85 DRD2 (0.55) DRD2HTR1AHTR2AHTR7HTR6

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-114728956-B Fused heterocyclic derivative and application thereof 上海枢境生物科技有限公司 2024-01-12 CN disclosed