SCHEMBL10412990

SCHEMBL10412990

CCCCCOc1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.55
▸ HTR1D P28221 6/20 0.55
▸ HTR1B P28222 6/20 0.55
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL7281097 0.88 HTR1A (0.50) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL11243420 0.88 HTR1A (0.69) HTR1A
Hydrochloric Acid SCHEMBL11224419 0.87 HTR1A (0.68) HTR1A
SCHEMBL10413747 0.87 HTR1B (0.48) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL10413625 0.86 HTR1A (0.56) HTR1AHTR1B
SCHEMBL10412926 0.86 HTR1A (0.58) HTR1AHTR1B
SCHEMBL10413248 0.86 HTR1A (0.58) HTR1AHTR1B
SCHEMBL10413236 0.86 HTR1A (0.58) HTR1AHTR1B
SCHEMBL10414181 0.86 HTR1A (0.58) HTR1AHTR1B
SCHEMBL10413220 0.86 HTR1A (0.58) HTR1AHTR1B

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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