SCHEMBL29323463

SCHEMBL29323463

O=C(N[C@H]1CC[C@H](CCN2CCN3c4cccc5scc(c45)CC3C2)CC1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.49
▸ DRD3 P35462 14/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR2A P28223 2/20 0.42

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
SCHEMBL31245767 1.00 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL29323478 0.99 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL30179327 0.99 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL30179291 0.87 DRD2 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL28967727 0.87 DRD2 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL26908463 0.84 DRD2 (0.58) DRD2DRD3HTR1AHTR2A
SCHEMBL29323474 0.83 DRD2 (0.52) DRD2DRD3
SCHEMBL26908476 0.83 DRD2 (0.59) DRD2DRD3HTR1A
SCHEMBL30179191 0.76 DRD2 (0.56) DRD2HTR1A
SCHEMBL28967714 0.76 DRD2 (0.56) DRD2HTR1A

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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