SCHEMBL8569681

SCHEMBL8569681

COc1ccc(-c2ccccc2)cc1C(=O)CCCCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
NR1H4 Q96RI1 1/20 0.48
HDAC8 Q9BY41 3/20 0.47
HDAC1 Q13547 2/20 0.47
LTB4R Q15722 2/20 0.44
ACLY P53396 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
POLB P06746 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL8574408 0.86 HTR2A (0.55) HTR2AHTR2CHTR2BNR1H4HDAC8
SCHEMBL8569833 0.82 HSD11B1 (0.48) HTR2AHTR2CHTR2BHDAC8HDAC1
SCHEMBL8569591 0.82 HDAC8 (0.67) HDAC8HDAC1KMT2AALDH1A1
SCHEMBL8569807 0.81 KMT2A (0.53) HTR2AHTR2CHTR2BHDAC8MEN1
SCHEMBL8571105 0.81 HTR2A (0.55) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL14241382 0.80 NR1H4 (0.54) HTR2AHTR2CHTR2BNR1H4LTB4R
SCHEMBL8572525 0.80 ALDH1A1 (0.56) HDAC8HDAC1MEN1KMT2APOLB
SCHEMBL7391033 0.79 HPGDS (0.57) HTR2AHTR2CHTR2BNR1H4LTB4R
SCHEMBL8575779 0.79 HSD11B1 (0.46) HTR2AHTR2CHTR2BHDAC8HDAC1
SCHEMBL8567801 0.78 KCNK3 (0.55) NR1H4MEN1KMT2APOLBKDM4E

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
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed