SCHEMBL8325504

SCHEMBL8325504

COC(=O)c1ccc(CCCc2ccccc2OCc2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.60
DRD2 P14416 2/20 0.60
PTGER1 P34995 1/20 0.60
PTGER4 P35408 1/20 0.60
PTGER3 P43115 1/20 0.60
PTGER2 P43116 1/20 0.60
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.49
LMNA P02545 4/20 0.48
GFER P55789 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC1A5 Q15758 1/20 0.46
MEN1 O00255 1/20 0.46
CYP4A11 Q02928 2/20 0.45
TRPV1 Q8NER1 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
SCHEMBL8327698 0.88 PTGER1 (0.78) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8322717 0.88 PTGER1 (0.77) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9064386 0.85 PTGER1 (0.73) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8327569 0.85 PTGER1 (0.73) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7427297 0.84 CYP4A11 (0.59) ALDH1A1L3MBTL1CYP4A11TRPV1CYP4F2
SCHEMBL8320689 0.83 PTGER1 (0.62) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8327425 0.82 PTGER1 (0.61) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8320496 0.81 KMT2A (0.57) PTGER1PTGER4PTGER3PTGER2HTT
SCHEMBL8325118 0.81 PTGER1 (0.60) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8678347 0.81 HTR1A (0.62) HTR1ADRD2PTGER1PTGER4PTGER3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed