SCHEMBL23739903

SCHEMBL23739903

CNC(=O)C(CCC=O)N1Cc2c(CCCCN3CCN(c4ccc(Cl)cc4Cl)CC3)cccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 9/20 0.37
▸ DRD2 P14416 5/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ SLC6A4 P31645 4/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ SLC6A2 P23975 2/20 0.35

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
SCHEMBL23739736 0.95 HTR1A (0.37) DRD3DRD2DRD4HTR2AHTR7
SCHEMBL23740034 0.94 HTR1A (0.36) DRD3DRD2DRD4HTR2AHTR7
SCHEMBL23739921 0.92 DRD2 (0.41) DRD3DRD2DRD4HTR2AHTR2C
SCHEMBL23739929 0.91 DRD2 (0.43) DRD2DRD4HTR2AHTR7
SCHEMBL23739905 0.90 DRD2 (0.45) DRD3DRD2DRD4HTR2AHTR7
SCHEMBL23739669 0.90 DRD2 (0.37) DRD3DRD2DRD4HTR2AHTR7
SCHEMBL23739535 0.88 DRD2 (0.42) DRD3DRD2DRD4SLC6A4HTR2A
SCHEMBL23739430 0.88 ADRA1B (0.40) DRD3DRD2DRD4HTR7
SCHEMBL23739671 0.87 ADRA1B (0.40) DRD3DRD2DRD4HTR7
SCHEMBL23739920 0.86 HTR1A (0.42) DRD3DRD2DRD4HTR2AHTR2C

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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