SCHEMBL23739751

SCHEMBL23739751

CNC(=O)C(CCC=O)N1Cc2c(OCCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.41
▸ HTR2A P28223 11/20 0.41
▸ HTR1A P08908 12/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR6 P50406 2/20 0.41

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
SCHEMBL23739535 0.89 DRD2 (0.42) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL23739567 0.88 DRD2 (0.55) DRD2HTR2AHTR1A
SCHEMBL23739693 0.86 HTR1A (0.44) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL23739525 0.86 DRD2 (0.52) DRD2HTR2AHTR1A
SCHEMBL23739667 0.82 POLB (0.35) —
SCHEMBL23739596 0.81 DRD2 (0.48) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL23739929 0.81 DRD2 (0.43) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL23934619 0.81 ALDH1A1 (0.44) —
SCHEMBL23739905 0.80 DRD2 (0.45) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL24572202 0.79 POLB (0.35) —

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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