SCHEMBL9582464

SCHEMBL9582464

NC(=O)c1ccc2c(CSCCN3CCC(c4cccc(O)c4)CC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.44
▸ HTR7 P34969 1/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ DRD3 P35462 3/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ HAT1 O14929 1/20 0.38
▸ EP300 Q09472 1/20 0.38

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
SCHEMBL9582767 0.93 HTR7 (0.49) DRD2HTR7HTR1DHTR1BHTR1A
SCHEMBL9582467 0.91 DRD2 (0.47) DRD2HTR7HTR1DHTR1BDRD3
SCHEMBL9582397 0.91 DRD3 (0.47) DRD2HTR1DHTR1BDRD3DRD4
SCHEMBL9582120 0.90 HTR1D (0.42) DRD2HTR7HTR1DHTR1BDRD3
SCHEMBL9582681 0.86 HTR7 (0.53) HTR7
SCHEMBL10648649 0.85 DRD2 (0.43) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL9581681 0.84 SIGMAR1 (0.47) DRD2HTR7DRD3DRD4
SCHEMBL9582267 0.84 HTR7 (0.54) DRD2HTR7HTR1DHTR1BDRD3
SCHEMBL10648783 0.84 DRD2 (0.49) DRD2DRD3CCR3DRD4
SCHEMBL9581294 0.83 TSHR (0.34) DRD2HTR7HTR1DHTR1BHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 — — US disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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