SCHEMBL23739716

SCHEMBL23739716

CNC(=O)C(CCC=O)N1Cc2c(CCCCN3CCN(c4cccc(C)c4)CC3)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.43
▸ HTR1A P08908 5/20 0.38
▸ DRD3 P35462 6/20 0.38
▸ DRD2 P14416 6/20 0.38
▸ HTR2A P28223 5/20 0.38
▸ HTR2C P28335 4/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ HTR7 P34969 1/20 0.36

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
SCHEMBL23739929 0.93 DRD2 (0.43) KCNH2HTR1ADRD2HTR2ADRD4
SCHEMBL23739920 0.92 HTR1A (0.42) KCNH2HTR1ADRD3DRD2HTR2A
SCHEMBL23739535 0.90 DRD2 (0.42) HTR1ADRD3DRD2HTR2AHTR2C
SCHEMBL23739669 0.90 DRD2 (0.37) KCNH2HTR1ADRD3DRD2HTR2A
SCHEMBL23739905 0.89 DRD2 (0.45) HTR1ADRD3DRD2HTR2ADRD4
SCHEMBL23739600 0.89 KDM4E (0.40) DRD2DRD4
SCHEMBL23739676 0.87 HTR1A (0.44) HTR1ADRD3DRD2HTR2ADRD4
SCHEMBL23739671 0.87 ADRA1B (0.40) HTR1ADRD3DRD2DRD4HTR7
SCHEMBL23739779 0.87 ADRA1D (0.39) HTR1A
SCHEMBL23739575 0.87 HTR1A (0.39) HTR1ADRD3DRD2HTR2ADRD4

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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