SCHEMBL7556087

SCHEMBL7556087

CCCOC(O)(C(N)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 5/20 0.43
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
KCNH2 Q12809 2/20 0.41
MLNR O43193 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CACNA1C Q13936 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21644502 0.88 KMT2A (0.48) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL30670482 0.86 LMNA (0.46) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL4561863 0.81 CHRM2 (0.51) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL20293767 0.79 MAPT (0.47) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL9256005 0.77 KMT2A (0.44) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL9068153 0.76 TSHR (0.47) KMT2AMAPTLMNACHRM2OPRK1
SCHEMBL2819529 0.74 CES1 (0.45) LMNAKCNH2ALDH1A1L3MBTL1CYP3A4
SCHEMBL19205720 0.73 SCN5A (0.54) KMT2AMAPTLMNACHRM2CHRM1
SCHEMBL2443032 0.73 CHRM2 (0.54) KMT2ALMNACHRM2CHRM1CHRM3
SCHEMBL27994258 0.73 ALDH1A1 (0.41) KMT2AMAPTLMNACHRM2CHRM1

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
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO claimed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed