SCHEMBL8870237

SCHEMBL8870237

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 7/20 0.38
DPP9 Q86TI2 7/20 0.38
DPP7 Q9UHL4 7/20 0.38
DPP4 P27487 5/20 0.38
LONP1 P36776 1/20 0.32
CPB2 Q96IY4 1/20 0.32
EPHX1 P07099 1/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
LMNA P02545 2/20 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
SCHEMBL8870244 1.00 DPP8 (0.38) DPP8DPP9DPP7DPP4LONP1
SCHEMBL8869418 0.90 DPP8 (0.36) DPP8DPP7DPP4LONP1CPB2
SCHEMBL8869425 0.90 DPP8 (0.36) DPP8DPP7DPP4LONP1CPB2
SCHEMBL8870455 0.89 DPP4 (0.37) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870452 0.89 DPP4 (0.37) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870895 0.87 DPP8 (0.38) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL8870902 0.87 DPP8 (0.38) DPP8DPP9DPP7DPP4EPHX1
SCHEMBL13576336 0.74 DPP4 (0.38) DPP8DPP9DPP7DPP4HDAC4
SCHEMBL8869666 0.73 SMYD3 (0.33) DPP4
SCHEMBL8869661 0.73 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