SCHEMBL2740263

SCHEMBL2740263

NC[C@@H](N)C(=O)NC(C=O)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
CTSB P07858 2/20 0.41
NLN Q9BYT8 1/20 0.39
CAPN1 P07384 4/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL2740206 0.86 CTSB (0.54) CTSBCAPN1CTSL
SCHEMBL14623960 0.86 CTSB (0.54) CTSBCAPN1CTSL
SCHEMBL25382819 0.79 CAPN1 (0.47) CTSBCAPN1
SCHEMBL3989376 0.79 CAPN1 (0.47) CTSBCAPN1
SCHEMBL2739915 0.79 ALDH1A1 (0.54)
SCHEMBL2267800 0.78 TDP1 (0.43) CTSBCAPN1NOS3NOS1NOS2
SCHEMBL2268714 0.78 TDP1 (0.43) CTSBCAPN1NOS3NOS1NOS2
SCHEMBL15936999 0.78 KDM4E (0.45) MC4RMC3RCTSL
SCHEMBL20204691 0.77 CTSC (0.58) CTSBCAPN1CTSL
SCHEMBL20204693 0.77 CTSC (0.58) CTSBCAPN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 EP disclosed
WO-2006103274-A9 AGE INHIBITORS PHARMAMENS (FR) 2007-01-18 WO disclosed