SCHEMBL8869669

SCHEMBL8869669

C[C@H](N)C(=O)NN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 4/20 0.38
HTT P42858 1/20 0.36
FAP Q12884 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PREP P48147 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
LIPE Q05469 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC15A1 P46059 1/20 0.32

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
SCHEMBL28682071 1.00 L3MBTL1 (0.42) L3MBTL1DPP4HTTFAPDPP7
SCHEMBL9684035 0.96 L3MBTL1 (0.39) L3MBTL1DPP4HTTFAPDPP7
SCHEMBL28654985 0.83 CA12 (0.52) HTTLIPECA12CA2CA9
SCHEMBL10305720 0.82 L3MBTL1 (0.44) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL28671676 0.82 SMN1; SMN2 (0.45) HTTKDM4ELIPECA12CA2
SCHEMBL4957038 0.82 SMN1; SMN2 (0.45) HTTKDM4ELIPECA12CA2
SCHEMBL4956038 0.82 SMN1; SMN2 (0.45) HTTKDM4ELIPECA12CA2
Hydrochloric Acid SCHEMBL7307224 0.80 SMN1; SMN2 (0.44) HTTALDH1A1KDM4ELIPECA12
SCHEMBL4104345 0.80 L3MBTL1 (0.43) L3MBTL1HTTALDH1A1MAPTKDM4E
SCHEMBL21650439 0.80 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1MAPTKDM4E

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 11 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
EP-0608215-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1994-08-03 EP disclosed
US-5318965-A Administering to treat leukemia, melanoma, carcinoma of lung, colon, ovaries ABBOTT LABORATORIES (US) 1994-06-07 US disclosed
EP-0608215-A4 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS. ABBOTT LAB (US) 1993-11-11 EP disclosed
WO-1993016702-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1993-09-02 WO disclosed
WO-1992003136-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed
US-4751299-A Optically active β-lactams and method of their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-14 US disclosed
EP-0144840-A2 Optically active beta-lactams and method of their production Takeda Chemical Industries, Ltd. (JP) 1985-06-19 EP disclosed