SCHEMBL10413747

SCHEMBL10413747

CCCCCOc1ccc2[nH]cc(CSCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 9/20 0.48
▸ HTR1A P08908 8/20 0.48
▸ HTR1D P28221 8/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL10412990 0.87 HTR1A (0.55) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL10412539 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10412507 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10413272 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10413753 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10414180 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10413237 0.86 HTR1A (0.51) HTR1BHTR1ADRD2DRD4DRD3
SCHEMBL10414153 0.85 DRD2 (0.43) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL10413250 0.84 DRD2 (0.45) HTR1AHTR2ADRD2DRD4DRD3
SCHEMBL10412992 0.84 SLC18A3 (0.47) HTR1DDRD2DRD4DRD3

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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