SCHEMBL5568618

SCHEMBL5568618

O=C(NOC(=O)C(F)(F)F)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 2/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30585766 0.82 NOS2 (0.34)
SCHEMBL31506895 0.79 POLB (0.40) POLBHSD17B10HTTKMT2AHDAC8
SCHEMBL508234 0.72 NOS1 (0.33)
SCHEMBL1653858 0.71 NAMPT (0.39) POLBHSD17B10HTTKMT2AHDAC8
SCHEMBL1507929 0.70 CA2 (0.43) POLBKMT2A
SCHEMBL6971012 0.70
SCHEMBL31623279 0.70 HSD17B10 (0.46) POLBHSD17B10HTTKMT2AHDAC8
SCHEMBL3906654 0.70 CA2 (0.32) LMNA
SCHEMBL27716512 0.70 PKM (0.36)
SCHEMBL508488 0.69 CA2 (0.31)

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-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed