SCHEMBL13753636

SCHEMBL13753636

CC(CCC(N)=O)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.62
▸ GAA P10253 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ LMNA P02545 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.56
▸ TAS1R1 Q7RTX1 1/20 0.56
▸ CCKBR P32239 3/20 0.52
▸ PYGL P06737 1/20 0.51
▸ EGFR P00533 1/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CCKAR P32238 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
SCHEMBL25789777 0.83 DRD2 (0.69) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL19476076 0.83 DRD2 (0.69) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL4915072 0.81 TAS1R3 (0.57) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL29949076 0.80 DRD2 (0.68) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL13753384 0.80 DRD2 (0.68) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL14269102 0.80 PYGL (0.69) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL13753661 0.80 KDM4E (0.72) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL13761405 0.78 DRD2 (0.59) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL6632042 0.78 KDM4E (0.71) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL13753482 0.77 DRD2 (0.64) DRD2GAAKDM4EALDH1A1MAPK1

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
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