SCHEMBL4638822

SCHEMBL4638822

O=C(NO)C1CC2(CC2)CN(C(=O)O)C1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.79
MMP2 P08253 17/20 0.79
ERBB2 P04626 9/20 0.79
MMP9 P14780 11/20 0.72
MMP3 P08254 5/20 0.72
MMP12 P39900 2/20 0.55
MMP14 P50281 2/20 0.55
ADAM17 P78536 2/20 0.55
ADAM33 Q9BZ11 2/20 0.55
ADAM8 P78325 1/20 0.55
MMP1 P03956 1/20 0.50
MMP7 P09237 1/20 0.50
MMP8 P22894 1/20 0.50
ADAM9 Q13443 1/20 0.50

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
SCHEMBL3648643 1.00 ADAM10 (0.79) ADAM10MMP2ERBB2MMP9MMP3
Aderbasib SCHEMBL206421 0.90 ADAM10 (0.76) ADAM10MMP2ERBB2MMP9MMP3
Aderbasib SCHEMBL1366560 0.90 ADAM10 (0.76) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3543143 0.89 ADAM10 (0.62) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1366079 0.88 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1365111 0.88 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2530093 0.87 ADAM10 (0.72) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2528026 0.87 ADAM10 (0.72) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1366083 0.86 ADAM10 (0.71) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1366801 0.86 ADAM10 (0.71) ADAM10MMP2ERBB2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP claimed
EP-1951242-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Incyte Corporation (US) 2008-08-06 EP claimed
WO-2007062093-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER COMPRISING A METALLOPROTEASE INHIBITOR INCYTE CORPORATION (US) 2007-05-31 WO claimed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed