SCHEMBL9023282

SCHEMBL9023282

CCCCCNc1ccc(OC2CCNCC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.39
TOP2A P11388 1/20 0.38
SLC6A4 P31645 2/20 0.37
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
CNR2 P34972 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH1 P35367 2/20 0.35

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
SCHEMBL9022813 0.99 ABL1 (0.40) BCL9CTNNB1ALDH1A1ABL1TOP2A
SCHEMBL9013880 0.99 ABL1 (0.40) BCL9CTNNB1ALDH1A1ABL1TOP2A
SCHEMBL8800057 0.81 HRH1 (0.47) ABL1GNAI3GNAO1GNAI1HRH1
SCHEMBL9022461 0.81 TOP2A (0.35) BCL9CTNNB1TOP2ASLC6A4HTR1A
SCHEMBL9013871 0.80 PDE4A (0.36) BCL9CTNNB1TOP2ASLC6A4HTR1A
SCHEMBL9022816 0.80 HRH1 (0.46) ABL1GNAI3GNAO1GNAI1CNR2
SCHEMBL9023043 0.80 HRH1 (0.46) ABL1GNAI3GNAO1GNAI1CNR2
SCHEMBL9022785 0.80 HRH1 (0.46) ABL1GNAI3GNAO1GNAI1CNR2
Hydrochloric Acid SCHEMBL9013913 0.79 GNAI3 (0.46) BCL9CTNNB1ALDH1A1TOP2AGNAI3
SCHEMBL9022423 0.77 SLC6A4 (0.38) BCL9CTNNB1TOP2ASLC6A4HTR1A

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 claimed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP claimed