SCHEMBL9013965

SCHEMBL9013965

CC(C)CCCNc1ccc(OC2CCN(OC(=O)/C=C/C(=O)ON3CCC(Oc4ccc(NCCCC(C)C)cc4)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
HRH3 Q9Y5N1 9/20 0.41
NAMPT P43490 4/20 0.41

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
SCHEMBL9014050 0.87 NAMPT (0.41) CTSLCTSSCTSKHRH3NAMPT
Fumaric Acid SCHEMBL9013969 0.79 HRH1 (0.47) CTSLCTSSCTSK
Fumaric Acid SCHEMBL9013959 0.79 HRH1 (0.47) CTSLCTSSCTSK
SCHEMBL9014079 0.72 HRH3 (0.43) HRH3
SCHEMBL9013972 0.72 HRH3 (0.41) LMNAHRH3
SCHEMBL9013850 0.70 NAMPT (0.49) LMNAHRH3NAMPT
SCHEMBL9013798 0.69 FFAR4 (0.44) HRH3NAMPT
SCHEMBL9014068 0.69 HRH3 (0.41) HRH3
SCHEMBL9013895 0.68 KMT2A (0.38) HRH3
SCHEMBL9013888 0.68 FFAR4 (0.42) HRH3NAMPT

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