SCHEMBL8889464

SCHEMBL8889464

c1cc2c(c3c1CCN3)CCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.39
▸ HTR2A P28223 7/20 0.39
▸ HTR2B P41595 7/20 0.39
▸ HTR1A P08908 6/20 0.38
▸ HTR1D P28221 5/20 0.38
▸ HTR6 P50406 2/20 0.35
▸ HTR4 Q13639 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ NOTUM Q6P988 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CLK1 P49759 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
SCHEMBL8887028 0.89 HTR2A (0.36) HTR2CHTR2AHTR2BADRA2AADRA2C
SCHEMBL4708565 0.78 KDM4E (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL1143507 0.74 HTR2C (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8648210 0.74 NOS3 (0.39) HTR2CHTR2AHTR2BADRA2AADRA2C
SCHEMBL10912069 0.66 SRC (0.40) ALDH1A1GAAMAPTHSD17B10
SCHEMBL10912108 0.66 SRC (0.40) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28633765 0.66 MAOB (0.48) HTR2CGAAMAPT
SCHEMBL805990 0.64 HTR2A (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL13035776 0.64 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL29262572 0.64 DRD2 (0.38) ADRA2AADRA2CNOTUM

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-5633276-A MELATONIN SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-05-27 — — US disclosed
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