SCHEMBL9022905

SCHEMBL9022905

CCCCCCCCCCNc1ccc(OC2CCNCC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.39
GNAO1 P09471 4/20 0.39
GNAI1 P63096 4/20 0.39
HRH1 P35367 2/20 0.39
IKBKB O14920 1/20 0.38
AR P10275 1/20 0.37
VDR P11473 1/20 0.37
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
PRKACA P17612 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKG1 Q13976 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
HRH3 Q9Y5N1 5/20 0.36

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
SCHEMBL9022708 1.00 GNAI3 (0.39) GNAI3GNAO1GNAI1HRH1IKBKB
Hydrochloric Acid SCHEMBL9014127 0.99 GNAI3 (0.41) GNAI3GNAO1GNAI1HRH1IKBKB
Fumaric Acid SCHEMBL9014073 0.91 HRH1 (0.48) GNAI3GNAO1GNAI1HRH1HRH3
Fumaric Acid SCHEMBL9014088 0.91 HRH1 (0.48) GNAI3GNAO1GNAI1HRH1HRH3
SCHEMBL9022785 0.81 HRH1 (0.46) GNAI3GNAO1GNAI1HRH1IKBKB
SCHEMBL9022816 0.81 HRH1 (0.46) GNAI3GNAO1GNAI1HRH1IKBKB
SCHEMBL9023043 0.81 HRH1 (0.46) GNAI3GNAO1GNAI1HRH1IKBKB
Hydrochloric Acid SCHEMBL9013864 0.80 HRH3 (0.48) GNAI3GNAO1GNAI1HRH3
SCHEMBL8800057 0.80 HRH1 (0.47) GNAI3GNAO1GNAI1HRH1IKBKB
SCHEMBL9014079 0.79 HRH3 (0.43) HRH3MAOAMAOB

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