SCHEMBL9582467

SCHEMBL9582467

NC(=O)c1ccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR7 P34969 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.43
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ AVPR1A P37288 1/20 0.42
▸ HAT1 O14929 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ CCR3 P51677 1/20 0.41

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
SCHEMBL9582267 0.93 HTR7 (0.54) DRD2DRD4DRD3HTR7HTR1D
SCHEMBL10648783 0.93 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1AVPR1A
SCHEMBL9582120 0.92 HTR1D (0.42) DRD2DRD4DRD3HTR7HTR1D
SCHEMBL9582464 0.91 DRD2 (0.44) DRD2DRD4DRD3HTR7HTR1D
SCHEMBL10650001 0.85 DRD2 (0.49) DRD2DRD4DRD3HTR7SIGMAR1
SCHEMBL9581369 0.85 HTR7 (0.57) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10648787 0.84 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1AVPR1A
SCHEMBL9582584 0.84 HTR7 (0.47) HTR7HTR1DHTR1BADRA2AADRA2B
SCHEMBL9582767 0.84 HTR7 (0.49) DRD2HTR7HTR1DHTR1BADRA2A
SCHEMBL10412923 0.84 SLC18A3 (0.47) DRD2DRD4DRD3AVPR1A

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 3 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-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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