SCHEMBL8327425

SCHEMBL8327425

O=C(NCCc1cccnc1)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.61
PTGER4 P35408 1/20 0.61
PTGER3 P43115 1/20 0.61
PTGER2 P43116 1/20 0.61
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
GFER P55789 1/20 0.57
MAPK1 P28482 1/20 0.57
PTAFR P25105 5/20 0.57
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
EPHX2 P34913 1/20 0.54
NAMPT P43490 3/20 0.52
POLB P06746 2/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL8406336 0.85 LMNA (0.72) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8327698 0.84 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8321954 0.83 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL8325504 0.82 HTR1A (0.60) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8325052 0.81 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL8326596 0.80 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8321384 0.80 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8329372 0.79 HTR1A (0.57) PTGER1PTGER4PTGER3PTGER2HTT
SCHEMBL8318517 0.79 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RAB9A
Iodide SCHEMBL8323379 0.79 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2LMNA

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 3 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
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