SCHEMBL9023137

SCHEMBL9023137

CCCCC(C)Nc1ccc(OC2CCN(C(C)=O)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
ERBB2 P04626 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR6 P46095 3/20 0.40
PDE4B Q07343 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9022423 0.74 SLC6A4 (0.38) HRH3PDE4B
SCHEMBL31202927 0.72 IKBKB (0.47) RAB9AHRH3MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9013901 0.71 IKBKB (0.46) RAB9AHRH3MEN1KMT2ATDP1
SCHEMBL15061997 0.69 EPHX2 (0.59) RAB9AMEN1KMT2ATDP1
SCHEMBL31202998 0.69 ALDH1A1 (0.49) RAB9AMEN1KMT2ATDP1PDE4B
SCHEMBL9014162 0.69 ALDH1A1 (0.49) RAB9AMEN1KMT2ATDP1PDE4B
SCHEMBL11345753 0.68 ALDH1A1 (0.42) TDP1MAPT
SCHEMBL9013850 0.68 NAMPT (0.49) HRH3MAPT
SCHEMBL9022461 0.67 TOP2A (0.35) PDE4B
SCHEMBL12311796 0.67 POLB (0.52) RAB9AHRH3MEN1KMT2ATDP1

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-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed