SCHEMBL8701351

SCHEMBL8701351

CCCCC(N[C]=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TACR3 P29371 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR88 Q9GZN0 2/20 0.40
CNR2 P34972 1/20 0.40
NAAA Q02083 2/20 0.39
SLC2A1 P11166 1/20 0.39
MME P08473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
ASAH1 Q13510 1/20 0.37

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
SCHEMBL8697744 0.95 TACR3 (0.42) POLBTACR3ALDH1A1GPR88CNR2
SCHEMBL3368388 0.89 AOC3 (0.42) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL5640387 0.82 LMNA (0.46) POLBALDH1A1KDM4E
SCHEMBL10349304 0.80 POLB (0.47) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL14533617 0.78 POLB (0.46) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL19286307 0.78 POLB (0.46) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL4321786 0.77 ACP3 (0.45) ALDH1A1CNR2
SCHEMBL11357814 0.77 POLB (0.49) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL8861456 0.77 AOC3 (0.51) POLBTACR3ALDH1A1KDM4EGPR88
SCHEMBL894067 0.76 POLB (0.56) POLBTACR3ALDH1A1KDM4EGPR88

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
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed