SCHEMBL992886

SCHEMBL992886

CC(C)(C)OC(=O)N1CCC1(I)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.35
EPHX1 P07099 1/20 0.35
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX2 P34913 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM1A O60341 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL20054876 0.90 GRIN2B (0.41) USP2SMN1; SMN2CTSKEPHX1GRIN2B
SCHEMBL193269 0.90 GRIN2B (0.41) USP2SMN1; SMN2CTSKEPHX1GRIN2B
SCHEMBL1839800 0.89 GRIN2B (0.38) USP2SMN1; SMN2CTSKEPHX1GRIN2B
SCHEMBL7227763 0.77 USP2 (0.40) USP2SMN1; SMN2CTSKGRIN2BGRIN2C
SCHEMBL4249117 0.77 USP2 (0.40) USP2SMN1; SMN2CTSKGRIN2BGRIN2C
SCHEMBL6078246 0.77 USP2 (0.40) USP2SMN1; SMN2CTSKGRIN2BGRIN2C
SCHEMBL539753 0.74 GRIN2B (0.32) USP2SMN1; SMN2GRIN2BGRIN2CCHRM2
SCHEMBL751694 0.74 BUB1 (0.35) USP2SMN1; SMN2GRIN2BGRIN2CCHRM2
SCHEMBL8240701 0.74 USP2 (0.43) USP2SMN1; SMN2CTSKEPHX1GRIN2B
SCHEMBL2246036 0.74 GRIN2B (0.43) USP2SMN1; SMN2CTSKEPHX1GRIN2B

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-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed