SCHEMBL7338565

SCHEMBL7338565

NC(=O)C(Br)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.36
FDPS P14324 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL9232932 0.98 DPP7 (0.39) DPP7FDPSL3MBTL1LMNAGAA
SCHEMBL7369696 0.79 KDM4E (0.42) LMNAMMP1MMP3
SCHEMBL8809418 0.79 OPRD1 (0.39)
SCHEMBL11682805 0.76 ALDH1A1 (0.40) LMNAGAAEPHX1
SCHEMBL27321259 0.75 DPP7 (0.45) DPP7FDPSLMNAGAA
SCHEMBL11681642 0.75 ALDH1A1 (0.40) L3MBTL1LMNAGAA
SCHEMBL6243407 0.72 DPP7 (0.42) DPP7FDPSL3MBTL1LMNAGAA
SCHEMBL4783310 0.72 DPP7 (0.42) DPP7FDPSL3MBTL1LMNAGAA
SCHEMBL10509650 0.72 DPP7 (0.42) DPP7FDPSL3MBTL1LMNAGAA
SCHEMBL19517200 0.70 ATM (0.41) DPP7FDPSLMNAGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820453-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-08-29 EP disclosed
EP-0820453-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-01-28 EP disclosed
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
WO-1996031504-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1996-10-10 WO disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
EP-0673924-A1 PROPIONIC ACID DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1995-09-27 EP disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed