SCHEMBL8870902

SCHEMBL8870902

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 9/20 0.38
DPP9 Q86TI2 9/20 0.38
DPP7 Q9UHL4 8/20 0.38
DPP4 P27487 7/20 0.38
METAP2 P50579 2/20 0.36
EPHX1 P07099 2/20 0.34
SLC15A1 P46059 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
METAP1 P53582 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
SCHEMBL8870895 1.00 DPP8 (0.38) DPP8DPP9DPP7DPP4METAP2
SCHEMBL8870455 0.89 DPP4 (0.37) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870452 0.89 DPP4 (0.37) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870237 0.87 DPP8 (0.38) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870244 0.87 DPP8 (0.38) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8869276 0.84 DPP4 (0.35) DPP4
SCHEMBL8869272 0.84 DPP4 (0.35) DPP4
SCHEMBL8869425 0.80 DPP8 (0.36) DPP8DPP7DPP4SLC15A1
SCHEMBL8869418 0.80 DPP8 (0.36) DPP8DPP7DPP4SLC15A1
SCHEMBL8869666 0.76 SMYD3 (0.33) DPP4

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 6 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
WO-1993016702-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1993-09-02 WO disclosed