SCHEMBL10648443

SCHEMBL10648443

O=C(O)Oc1ccc2c(CSCCN3CCCC(c4ccc(O)cc4)C3)c[nH]c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD1 P21728 3/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ DRD5 P21918 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SLC6A1 P30531 1/20 0.31
▸ SLC6A11 P48066 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PRCP P42785 1/20 0.31
▸ EBP Q15125 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9582138 0.88 PRKAB2 (0.35) PROKR1KDM4EDRD2DRD1DRD4
SCHEMBL10646688 0.85 HRH3 (0.35) KDM4EDRD2DRD1DRD4DRD5
SCHEMBL9581321 0.80 PRKAB2 (0.35) KDM4EDRD2DRD4DRD3SLC6A1
SCHEMBL10649037 0.79 DRD3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9582178 0.75 HTR1D (0.38) HRH3
SCHEMBL10648282 0.74 DRD3 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9581355 0.73 HTR7 (0.42) —
SCHEMBL10650789 0.72 DRD2 (0.39) DRD2DRD4DRD3
SCHEMBL11013556 0.72 SIGMAR1 (0.46) DRD2DRD4DRD3NFKB1PRCP
SCHEMBL10648604 0.71 TRPV1 (0.39) 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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