SCHEMBL6990428

SCHEMBL6990428

NC(=O)c1cc(F)ccc1C[CH]C(=O)NC12CCCC1OCC2=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
NR3C1 P04150 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL3140453 0.73 HPGD (0.43) LMNA
SCHEMBL3140771 0.64 NPC1 (0.40) LMNA
SCHEMBL3140703 0.64 PARP1 (0.43)
SCHEMBL12023001 0.63 MAPK8 (0.46) KDM4ELMNA
SCHEMBL3140842 0.63 ALDH1A1 (0.35) P2RX7NR3C1
SCHEMBL4086572 0.63 NPC1 (0.50) KDM4ELMNA
SCHEMBL4080928 0.63 P2RX7 (0.40) P2RX7
SCHEMBL4245581 0.62 CTSL (0.39)
SCHEMBL4096182 0.62 HTR2A (0.40)
SCHEMBL6755715 0.62 MAPK8 (0.44)

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-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed