SCHEMBL23739690

SCHEMBL23739690

O=CCCC(C=O)N1Cc2c(CCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.51
▸ DRD3 P35462 4/20 0.51
▸ DRD5 P21918 2/20 0.51
▸ HTR7 P34969 9/20 0.49
▸ HTR1A P08908 7/20 0.49
▸ HTR2A P28223 6/20 0.49
▸ HTR6 P50406 4/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ DRD1 P21728 2/20 0.46
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL23739586 0.87 DRD2 (0.47) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL23740080 0.82 HTR1A (0.48) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL23739613 0.82 ADRA1D (0.43) HTR1AADRA1DADRA1AADRA1B
SCHEMBL23739773 0.82 HTR1A (0.41) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL23739761 0.80 DRD3 (0.40) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL23739454 0.80 DRD2 (0.52) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL23739848 0.80 DRD2 (0.52) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL23739573 0.79 HTR1A (0.30) HTR7HTR1A
SCHEMBL23739670 0.78 DRD2 (0.42) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL21848651 0.72 CRBN (0.55) DRD2DRD3DRD5HTR7HTR1A

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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