SCHEMBL6023055

SCHEMBL6023055

O=C(NO)C1CC2(CC2)CNC1C(=O)N1CCN2c3ccccc3C[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 1.00
MMP2 P08253 16/20 1.00
ERBB2 P04626 9/20 1.00
MMP9 P14780 7/20 0.61
MMP1 P03956 3/20 0.55
MMP3 P08254 3/20 0.55

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
SCHEMBL206346 1.00 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1363898 1.00 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1366383 1.00 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1364073 0.81 ADAM10 (0.69) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1365985 0.81 ADAM10 (0.69) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL18429666 0.81 ADAM10 (0.74) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1364953 0.81 ADAM10 (0.74) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1363663 0.81 ADAM10 (0.74) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1365501 0.78 ADAM10 (0.70) ADAM10MMP2ERBB2MMP9MMP1
SCHEMBL1365505 0.78 ADAM10 (0.70) ADAM10MMP2ERBB2MMP9MMP1

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-1613269-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE Incyte Corporation (US) 2006-01-11 EP disclosed
WO-2004089294-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORPORATION (US) 2004-10-21 WO disclosed