SCHEMBL10650001

SCHEMBL10650001

O=C(O)c1ccc2[nH]cc(CSCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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) DRD2DRD4DRD3KMT2AHSD17B10
SCHEMBL10648783 0.92 DRD2 (0.49) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL10650004 0.86 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1
SCHEMBL10413339 0.86 DRD2 (0.45) DRD2DRD4DRD3KMT2AHTR7
SCHEMBL10412992 0.85 SLC18A3 (0.47) DRD2DRD4DRD3SIGMAR1
SCHEMBL9582467 0.85 DRD2 (0.47) DRD2DRD4DRD3HTR7ADRA2A
SCHEMBL10413887 0.85 DRD2 (0.68) DRD2DRD4DRD3ADRA1D
SCHEMBL9581356 0.84 KDM4E (0.64) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9582584 0.84 HTR7 (0.47) KMT2AHSD17B10HTR7ADRA2AADRA2B
SCHEMBL10412977 0.84 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1

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
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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