SCHEMBL23739539

SCHEMBL23739539

CNC(=O)C(CCC=O)N1Cc2c(OCCCCNC(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 18/20 0.43
▸ DRD3 P35462 8/20 0.43
▸ HTR2A P28223 10/20 0.42
▸ HTR1A P08908 8/20 0.42
▸ FAAH O00519 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD4 P21917 2/20 0.38

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
SCHEMBL23739650 0.96 DRD2 (0.40) DRD2DRD3HTR2AHTR1AFAAH
SCHEMBL23739567 0.89 DRD2 (0.55) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL23739525 0.88 DRD2 (0.52) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL23739667 0.81 POLB (0.35) GAA
SCHEMBL23739899 0.80 POLB (0.34) GAA
SCHEMBL23739890 0.78 POLB (0.35) HTR2AGAA
SCHEMBL24572202 0.77 POLB (0.35) GAA
SCHEMBL23739756 0.77 MAPT (0.44) HTR1AGAA
SCHEMBL23739521 0.77 POLB (0.35) HTR2AGAA
SCHEMBL23934426 0.76 POLB (0.34) GAA

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
Send feedback