SCHEMBL7361818

SCHEMBL7361818

NC(=O)CN1CCC(c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PARP10 Q53GL7 1/20 0.48
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL12491199 0.85 CHRM2 (0.55) ALDH1A1L3MBTL1
SCHEMBL27517827 0.76 KCNH2 (0.48) KCNH2NPC1RAB9APARP10MMP13
SCHEMBL16874617 0.74 TP53 (0.47) KCNH2NPC1RAB9AHTTHRH3
SCHEMBL8209192 0.73 MMP13 (0.49) KCNH2NPC1RAB9APARP10MMP13
SCHEMBL6628834 0.73 ADAM17 (0.62) RAB9AMMP13SMN1; SMN2LMNA
SCHEMBL10892909 0.71 SIGMAR1 (0.47) L3MBTL1
SCHEMBL2714652 0.71 KCNH2 (0.55) KCNH2NPC1RAB9APARP10
SCHEMBL2713220 0.71 KCNH2 (0.55) KCNH2NPC1RAB9APARP10
SCHEMBL2712695 0.71 KCNH2 (0.55) KCNH2NPC1RAB9APARP10
SCHEMBL27037680 0.70 MRGPRX4 (0.57) KCNH2NPC1RAB9AHTTHRH3

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-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed