SCHEMBL6024638

SCHEMBL6024638

CCCCC(NC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TACR3 P29371 2/20 0.42
GPR88 Q9GZN0 2/20 0.41
SLC2A1 P11166 1/20 0.41
MME P08473 1/20 0.40
CTSK P43235 6/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
AOC3 Q16853 1/20 0.39
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL11259100 0.93 TACR3 (0.43) POLBALDH1A1TACR3SLC2A1HTR2A
SCHEMBL10349304 0.90 POLB (0.47) POLBALDH1A1KDM4ETACR3GPR88
SCHEMBL9272437 0.89 AOC3 (0.44) POLBALDH1A1TACR3MAPTHTR2A
SCHEMBL13302608 0.82 LMNA (0.46) ALDH1A1KDM4EAOC3
SCHEMBL12312555 0.82 LMNA (0.46) ALDH1A1KDM4EAOC3
SCHEMBL172612 0.82 LMNA (0.46) ALDH1A1KDM4EAOC3
SCHEMBL11031006 0.82 POLB (0.52) POLBALDH1A1KDM4ETACR3GPR88
SCHEMBL14533617 0.81 POLB (0.46) POLBALDH1A1KDM4ETACR3GPR88
SCHEMBL19286307 0.81 POLB (0.46) POLBALDH1A1KDM4ETACR3GPR88
SCHEMBL11357814 0.79 POLB (0.49) POLBALDH1A1KDM4ETACR3GPR88

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-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 EP disclosed