SCHEMBL10649037

SCHEMBL10649037

O=C(O)Oc1ccc(Cl)c2[nH]cc(CSCCN3CCCC(c4cccc(O)c4)C3)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 6/20 0.44
▸ DRD4 P21917 4/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PRCP P42785 1/20 0.44
▸ EBP Q15125 1/20 0.44
▸ HTR1A P08908 2/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL9582013 0.89 DRD3 (0.46) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL10649693 0.88 DRD4 (0.46) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL10648282 0.80 DRD3 (0.46) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL11013556 0.80 SIGMAR1 (0.46) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL10648443 0.79 PROKR1 (0.33) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL10646688 0.78 HRH3 (0.35) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL9582245 0.76 DRD4 (0.47) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL9581681 0.73 SIGMAR1 (0.47) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL9582397 0.73 DRD3 (0.47) DRD3DRD4SIGMAR1DRD2NFKB1
SCHEMBL9581321 0.72 PRKAB2 (0.35) DRD3DRD4SIGMAR1DRD2NFKB1

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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