SCHEMBL23739573

SCHEMBL23739573

Bc1c(B)c(O)c(B)c(N2CCN(CCCCCCc3cccc4c3CN(C(C=O)CCC=O)C4=O)CC2)c1B

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.30
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL23739917 0.83 HTR7 (0.33) HTR1AHTR7
SCHEMBL23739464 0.83 KDM4E (0.30) —
SCHEMBL23739966 0.82 KDM4E (0.30) —
SCHEMBL23739454 0.80 DRD2 (0.52) HTR1AHTR7
SCHEMBL23739848 0.80 DRD2 (0.52) HTR1AHTR7
SCHEMBL23739613 0.79 ADRA1D (0.43) HTR1A
SCHEMBL23739761 0.79 DRD3 (0.40) HTR1AHTR7
SCHEMBL23740080 0.79 HTR1A (0.48) HTR1AHTR7
SCHEMBL23739773 0.79 HTR1A (0.41) HTR1AHTR7
SCHEMBL23739690 0.79 DRD2 (0.51) HTR1AHTR7

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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