SCHEMBL7628951

SCHEMBL7628951

CCN(CC)C(=O)C(F)C(=O)CN

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.32
MC4R P32245 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28715642 0.81 LMNA (0.33) SMN1; SMN2DPP4LMNAMC4RMMP1
SCHEMBL6601203 0.76 LMNA (0.36) SMN1; SMN2DPP4LMNAMC4RMMP1
SCHEMBL4457586 0.72 LMNA (0.40) SMN1; SMN2DPP4LMNAMC4RMMP1
SCHEMBL29330514 0.70 LMNA (0.39) SMN1; SMN2DPP4LMNAMC4RMMP1
Hydrochloric Acid SCHEMBL10925906 0.70 DPP4 (0.39) SMN1; SMN2DPP4LMNAMMP1MMP2
SCHEMBL1009541 0.69 LMNA (0.37) SMN1; SMN2DPP4LMNAMC4RMMP1
SCHEMBL28512656 0.67 DPP4 (0.40) SMN1; SMN2DPP4LMNAMMP1MMP2
SCHEMBL28512655 0.67 DPP4 (0.40) SMN1; SMN2DPP4LMNAMMP1MMP2
SCHEMBL3948078 0.66 DPP4 (0.42) SMN1; SMN2DPP4LMNAMMP1MMP2
SCHEMBL5438409 0.66 DPP4 (0.42) SMN1; SMN2DPP4LMNAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996606-B1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LTD (GB) 2002-01-16 EP disclosed
US-6300511-B1 FLUORINATING CARBONYL COMPOUND BY REPLACEMENT OF ALPHA-HYDROGEN ATOM WITH FLUORINE COMPRISING REACTING COMPOUND WITH FLUORINATING AGENT IN PRESENCE OF CATALYTICALLY EFFECTIVE AMOUNT OF TRANSITION METAL-CONTAINING CATALYST F2 CHEMICALS LIMITED (GB) 2001-10-09 US disclosed
EP-0996606-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 Chemicals Ltd. (GB) 2000-05-03 EP disclosed
WO-1999003802-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-01-28 WO disclosed