SCHEMBL7438854

SCHEMBL7438854

COC(=O)C[C@H]1C(=O)N(CC(=O)OC(=O)C(F)(F)F)CCN1C(=O)C(N)CC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 6/20 0.42
DPP4 P27487 5/20 0.42
DPP7 Q9UHL4 5/20 0.42
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CCR1 P32246 1/20 0.31
MMP2 P08253 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL7364289 0.90 DPP8 (0.47) DPP8DPP4DPP7ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7924834 0.90 DPP8 (0.47) DPP8DPP4DPP7ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7365694 0.90 DPP8 (0.47) DPP8DPP4DPP7ITGB3ITGA2B
SCHEMBL7372151 0.86 DPP4 (0.40) DPP8DPP4DPP7ITGB3ITGA2B
SCHEMBL7924791 0.85 ALDH1A1 (0.40) ITGB3ITGA2BTSHRHSD17B10ALDH1A1
SCHEMBL7364293 0.85 DPP8 (0.41) DPP8DPP4DPP7ITGB3ITGA2B
SCHEMBL7370709 0.80 ITGB3 (0.46) ITGB3ITGA2BCYP2D6TSHRCYP3A4
SCHEMBL7935145 0.80 ITGB3 (0.46) ITGB3ITGA2BCYP2D6TSHRCYP3A4
SCHEMBL7370702 0.80 ITGB3 (0.46) ITGB3ITGA2BCYP2D6TSHRCYP3A4
SCHEMBL7444700 0.79 ITGB3 (0.45) ITGB3ITGA2BCYP2D6TSHRCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US claimed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed