SCHEMBL6182880

SCHEMBL6182880

C=CCC(C(=O)Nc1ccc(OC)c(OCCC2CCCN2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL4032377 0.83 HTR2A (0.49) EPHA2KDREPHB4
SCHEMBL13946677 0.82 HTR2C (0.49)
SCHEMBL13946856 0.79 HTR2C (0.49) MEN1LMNAMAPTKMT2AEPHA2
SCHEMBL4026931 0.75 KDM4E (0.45) EPHA2KDREPHB4
SCHEMBL13945743 0.72 HTR2C (0.48)
SCHEMBL6220699 0.72 HTR2C (0.53) EPHA2KDREPHB4
SCHEMBL13946676 0.70 HTR2A (0.50) EPHA2KDREPHB4
SCHEMBL13946461 0.70 HTR2A (0.50) EPHA2KDREPHB4
SCHEMBL7056752 0.70 MCHR1 (0.52)
SCHEMBL13946457 0.69 KDR (0.44) MEN1KMT2AEPHA2KDREPHB4

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-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 WO disclosed