SCHEMBL6214680

SCHEMBL6214680

CCC/C=C/CC[CH]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CASP3 P42574 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SENP8 Q96LD8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5177139 0.89 DRD3 (0.44) DRD3TRPA1ALDH1A1MEN1KMT2A
SCHEMBL6050329 0.81 NR1H2 (0.46) DRD3ALDH1A1NR1H2NR1H3CA12
SCHEMBL8332447 0.79 NR1H2 (0.49) ALDH1A1NR1H2NR1H3CA12CA9
SCHEMBL8328628 0.79 NR1H2 (0.49) ALDH1A1NR1H2NR1H3CA12CA9
SCHEMBL8331683 0.79 NR1H2 (0.49) ALDH1A1NR1H2NR1H3CA12CA9
SCHEMBL6329301 0.77 DRD3 (0.43) DRD3ALDH1A1MEN1KMT2AGAA
SCHEMBL6218797 0.77 DRD3 (0.41) DRD3TRPA1ALDH1A1MEN1KMT2A
SCHEMBL6837085 0.74 ALDH1A1 (0.40) DRD3ALDH1A1GAARAB9ACASP3
SCHEMBL27473685 0.71 ALDH1A1 (0.40) DRD3ALDH1A1GAARAB9ACASP3
SCHEMBL28660875 0.71 NR1H2 (0.48) ALDH1A1NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839149-B9 GALANTHAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES CT NAT DELA RECH SCIENT (FR) 2005-03-09 EP disclosed
EP-0839149-B1 GALANTHAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES CT NAT DELA RECH SCIENT (FR) 2004-04-14 EP disclosed