SCHEMBL8869425

SCHEMBL8869425

CCC[C@H](NC(=O)[C@H](C)N)C(=O)NC1CCC[N]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC15A1 P46059 1/20 0.33
CPB2 Q96IY4 1/20 0.32
DPP4 P27487 1/20 0.30
XIAP P98170 1/20 0.30
NOD1 Q9Y239 1/20 0.30
LONP1 P36776 1/20 0.30

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
SCHEMBL8869418 1.00 DPP8 (0.36) DPP8DPP7SLC15A1CPB2DPP4
SCHEMBL8870237 0.90 DPP8 (0.38) DPP8DPP7CPB2DPP4LONP1
SCHEMBL8870244 0.90 DPP8 (0.38) DPP8DPP7CPB2DPP4LONP1
SCHEMBL8869661 0.82 SMYD3 (0.33) DPP4XIAP
SCHEMBL8869666 0.82 SMYD3 (0.33) DPP4XIAP
SCHEMBL8869276 0.81 DPP4 (0.35) DPP4
SCHEMBL8869272 0.81 DPP4 (0.35) DPP4
SCHEMBL8870452 0.81 DPP4 (0.37) DPP8DPP7SLC15A1DPP4
SCHEMBL8870455 0.81 DPP4 (0.37) DPP8DPP7SLC15A1DPP4
SCHEMBL8870895 0.80 DPP8 (0.38) DPP8DPP7SLC15A1DPP4

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
US-5624924-A Quinobenzothiazine antineoplastic agents ABBOTT LABORATORIES (US) 1997-04-29 US claimed
US-5318965-A Administering to treat leukemia, melanoma, carcinoma of lung, colon, ovaries ABBOTT LABORATORIES (US) 1994-06-07 US claimed
WO-1993016702-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1993-09-02 WO claimed
US-5624924-A Quinobenzothiazine antineoplastic agents ABBOTT LABORATORIES (US) 1997-04-29 US disclosed
US-5318965-A Administering to treat leukemia, melanoma, carcinoma of lung, colon, ovaries ABBOTT LABORATORIES (US) 1994-06-07 US disclosed