SCHEMBL23934516

SCHEMBL23934516

CNC(=O)C(CCC=O)N1Cc2c(OCCC3CN(c4ccnc5ccccc45)C3)cccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL23934667 0.94 DRD3 (0.34) IDO1PDGFRBHTR1ADRD2DRD1
SCHEMBL23934655 0.90 IDO1 (0.37) IDO1PDGFRBSCN9ADRD2DRD3
SCHEMBL23739656 0.87 IDO1 (0.38) IDO1POLBLMNA
SCHEMBL23934723 0.86 F10 (0.33) HTR1ADRD2DRD1DRD4HTR2A
SCHEMBL23739968 0.86 IDO1 (0.37) IDO1POLBLMNA
SCHEMBL23934512 0.82 IDO1 (0.39) IDO1PDGFRBHTR1ADRD2DRD1
SCHEMBL23739830 0.80 IDO1 (0.36) IDO1POLBLMNA
SCHEMBL23739667 0.79 POLB (0.35) POLBLMNA
SCHEMBL24572202 0.79 POLB (0.35) POLBLMNA
SCHEMBL23739521 0.78 POLB (0.35) POLBLMNAHTR2AHTR2CHTR2B

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-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 — — EP disclosed
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