SCHEMBL9013830

SCHEMBL9013830

CC(C)(C)OC(=O)N1CCC(COc2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.57
TGFBR1 P36897 1/20 0.52
CHEK2 O96017 1/20 0.52

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
SCHEMBL15412759 0.85 GPR119 (0.58) GPR119TGFBR1CHEK2
SCHEMBL12834985 0.85 GPR119 (0.58) GPR119CHEK2
SCHEMBL3591355 0.85 TGFBR1 (0.59) GPR119TGFBR1CHEK2
SCHEMBL1769099 0.84 GPR119 (0.57) GPR119CHEK2
SCHEMBL3256200 0.84 GPR119 (0.57) GPR119CHEK2
SCHEMBL2456170 0.84 GPR119 (0.57) GPR119CHEK2
SCHEMBL213773 0.84 GPR119 (0.57) GPR119CHEK2
SCHEMBL3249170 0.84 KDM4E (0.61) GPR119CHEK2
SCHEMBL11956858 0.84 GPR119 (0.64) GPR119
SCHEMBL17078731 0.83 GPR119 (0.56) GPR119CHEK2

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 5 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
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