SCHEMBL6027447

SCHEMBL6027447

NOC(=O)C1CC(N2CCCC2)CCC1C(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HRH3 Q9Y5N1 7/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADAM10 O14672 3/20 0.45
MMP2 P08253 2/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
ADAM17 P78536 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
ERBB2 P04626 2/20 0.44
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL2172960 0.85 SIGMAR1 (0.49) SIGMAR1HRH3ADAM10MMP2MMP8
SCHEMBL2174013 0.84 ADAM10 (0.60) SIGMAR1HRH3ADAM10MMP2MMP8
SCHEMBL2172947 0.84 ADAM10 (0.60) SIGMAR1HRH3ADAM10MMP2MMP8
SCHEMBL2174893 0.77 ADAM10 (0.56) SIGMAR1ADAM10MMP2MMP8MMP12
SCHEMBL3458394 0.77 ADAM10 (0.56) SIGMAR1ADAM10MMP2MMP8MMP12
SCHEMBL2172796 0.77 ADAM10 (0.56) SIGMAR1ADAM10MMP2MMP8MMP12
SCHEMBL3458397 0.77 ADAM10 (0.56) SIGMAR1ADAM10MMP2MMP8MMP12
SCHEMBL2173968 0.74 ADAM10 (0.56) SIGMAR1ADAM10MMP2MMP8MMP12
SCHEMBL10143901 0.74 SIGMAR1 (0.67) SIGMAR1HRH3ADAM10RAB9ANPC1
SCHEMBL13015347 0.73 RAB9A (0.52) SIGMAR1ADAM10MMP2MMP8MMP12

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-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed