SCHEMBL8869276

SCHEMBL8869276

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
SMYD3 Q9H7B4 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
SCHEMBL8869272 1.00 DPP4 (0.35) DPP4SMYD3
SCHEMBL8869661 0.89 SMYD3 (0.33) DPP4SMYD3
SCHEMBL8869666 0.89 SMYD3 (0.33) DPP4SMYD3
SCHEMBL8870902 0.84 DPP8 (0.38) DPP4
SCHEMBL8870895 0.84 DPP8 (0.38) DPP4
SCHEMBL8869418 0.81 DPP8 (0.36) DPP4
SCHEMBL8869425 0.81 DPP8 (0.36) DPP4
SCHEMBL11430411 0.74 EPHX1 (0.46)
Bromide SCHEMBL11429648 0.73 EPHX1 (0.45)
SCHEMBL8870452 0.73 DPP4 (0.37) 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