SCHEMBL10413001

SCHEMBL10413001

CC(=O)Oc1ccc2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.52
▸ MAOA P21397 1/20 0.51
▸ SLC18A3 Q16572 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR1A P08908 1/20 0.47

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
SCHEMBL10652767 0.95 DRD2 (0.48) MAOBMAOADRD2DRD4DRD3
SCHEMBL9828847 0.93 HTR1A (0.54) HTR1A
SCHEMBL11351695 0.89 HTR1A (0.60) HTR1A
SCHEMBL10648427 0.88 MAOB (0.44) MAOB
SCHEMBL10647445 0.88 HTR1A (0.52) HTR1A
SCHEMBL10646279 0.88 MAOB (0.45) MAOBMAOADRD2DRD4DRD3
SCHEMBL10414161 0.86 DRD2 (0.47) MAOBMAOADRD2DRD4DRD3
SCHEMBL10412923 0.85 SLC18A3 (0.47) MAOBMAOASLC18A3DRD2DRD4
SCHEMBL10413623 0.85 HTR1D (0.53) HTR1A
SCHEMBL10414111 0.85 HTR1A (0.54) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916143-A Hydroxyindole esters MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 — — US disclosed
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