SCHEMBL9014131

SCHEMBL9014131

CCCCCC(Nc1ccccc1OC1CCNCC1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.45
TOP2A P11388 4/20 0.45
HRH1 P35367 4/20 0.41
CHRM3 P20309 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DDX3X O00571 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 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
SCHEMBL9014102 0.82 SMN1; SMN2 (0.47) CHRM3
SCHEMBL9013989 0.81 PDE4D (0.54) TOP2A
SCHEMBL8798935 0.74 HSP90AB1 (0.62) HSP90AB1TOP2AHRH1CHRM3HTR1A
SCHEMBL9014136 0.70 HSP90AB1 (0.47) HSP90AB1TOP2AHRH1CHRM3HTR1A
SCHEMBL9014145 0.70 HRH1 (0.42) HSP90AB1TOP2AHRH1CHRM3HTR1A
SCHEMBL28841583 0.69 SMN1; SMN2 (0.55)
SCHEMBL9014140 0.67 HRH1 (0.54) HRH1
Hydrochloric Acid SCHEMBL71793 0.66 HRH1 (0.53) HSP90AB1TOP2AHRH1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL8477391 0.65 HSP90AB1 (0.62) HSP90AB1TOP2A
SCHEMBL16296005 0.65 DDB1 (0.55) HSP90AB1TOP2AHRH1HTR1ASLC6A2

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
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
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