SCHEMBL29323681

SCHEMBL29323681

Cc1ccc(CCN2CCN3c4cccc5scc(c45)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR1A P08908 3/20 0.35
▸ HTR2A P28223 3/20 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
SCHEMBL30179301 0.90 DRD2 (0.44) DRD2
SCHEMBL28967717 0.90 DRD2 (0.44) DRD2
SCHEMBL29323098 0.85 DRD2 (0.62) DRD2
SCHEMBL29324093 0.85 DRD2 (0.50) DRD2HTR1A
SCHEMBL30179173 0.83 DRD2 (0.48) DRD2MAPTNPSR1HTR1A
SCHEMBL29322785 0.83 DRD2 (0.48) DRD2MAPTNPSR1HTR1A
SCHEMBL29324627 0.82 DRD2 (0.61) DRD2MAPTHTR1A
SCHEMBL28967715 0.82 DRD2 (0.44) DRD2HRH3
SCHEMBL30179518 0.82 DRD2 (0.44) DRD2HRH3
SCHEMBL29324116 0.82 DRD2 (0.51) DRD2

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-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 — — EP disclosed
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