SCHEMBL4044034

SCHEMBL4044034

CCCC(NC(=O)Oc1cc2cc(OC)ccc2o1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.36
PTAFR P25105 8/20 0.36
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4047073 0.93 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4043880 0.93 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4046786 0.92 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4044847 0.90 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4049254 0.88 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4046927 0.88 CHRNA7 (0.41) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4043869 0.86 KCNQ1 (0.37) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4043031 0.86 HTRA1 (0.37) CHRNA7
SCHEMBL4047814 0.85 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4042383 0.84 CTSK (0.42) CHRNB2CHRNA7CHRNA4

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
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed