SCHEMBL9014140

SCHEMBL9014140

CCCCCCNC(C)=O.c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 4/20 0.47
ACACB O00763 2/20 0.47
ACACA Q13085 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.46
NAAA Q02083 1/20 0.45
EGFR P00533 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9014112 0.81 OPRK1 (0.53) L3MBTL1ALDH1A1
SCHEMBL9014012 0.80 L3MBTL1 (0.43) GNAI3GNAO1GNAI1L3MBTL1EPHX1
SCHEMBL9013996 0.79 KEAP1 (0.49) ALDH1A1
SCHEMBL9023043 0.75 HRH1 (0.46) HRH1GNAI3GNAO1GNAI1EPHX1
SCHEMBL9022785 0.75 HRH1 (0.46) HRH1GNAI3GNAO1GNAI1EPHX1
SCHEMBL9022816 0.75 HRH1 (0.46) HRH1GNAI3GNAO1GNAI1EPHX1
Fumaric Acid SCHEMBL9014048 0.75 HRH1 (0.48) HRH1GNAI3GNAO1GNAI1EPHX1
Fumaric Acid SCHEMBL9014052 0.75 HRH1 (0.48) HRH1GNAI3GNAO1GNAI1EPHX1
SCHEMBL8800057 0.74 HRH1 (0.47) HRH1GNAI3GNAO1GNAI1EPHX1
SCHEMBL211130 0.73 HRH1 (1.00) HRH1

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