SCHEMBL8675658

SCHEMBL8675658

N#Cc1ccccc1CCc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
PTGER1 P34995 7/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
MAOB P27338 1/20 0.48
CNR1 P21554 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL8323718 0.84 MRGPRX4 (0.53) HTR1ADRD2PTGER1MRGPRX4MAOB
SCHEMBL6215963 0.82 MAOB (0.60) MRGPRX4MAOB
SCHEMBL8318509 0.81 MRGPRX4 (0.43) PTGER1MRGPRX4MAOB
SCHEMBL8676539 0.80 PTGER1 (0.44) PTGER1MRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL4720248 0.80 PTGER1 (0.52) PTGER1MRGPRX4STAT3
SCHEMBL693828 0.78 PTGER1 (0.53) HTR1ADRD2PTGER1STAT3KMT2A
SCHEMBL2954443 0.78 MAPT (0.60) PTGER1MRGPRX4
SCHEMBL8676535 0.77 PTGER1 (0.43) PTGER1MRGPRX4STAT3KMT2A
SCHEMBL8677039 0.77 MRGPRX4 (0.64) PTGER1MRGPRX4
SCHEMBL30557975 0.76 PTGER1 (0.54) PTGER1STAT3

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed