SCHEMBL6684732

SCHEMBL6684732

CNC(=O)C1CNCCC1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.76

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
SCHEMBL5897997 0.93 ADAM17 (0.87) ADAM17
SCHEMBL5897790 0.93 ADAM17 (0.87) ADAM17
Trifluoroacetic Acid SCHEMBL5897964 0.89 ADAM17 (0.80) ADAM17
Trifluoroacetic Acid SCHEMBL5898227 0.89 ADAM17 (0.80) ADAM17
SCHEMBL5897884 0.88 ADAM17 (0.86) ADAM17
SCHEMBL5897779 0.88 ADAM17 (0.86) ADAM17
SCHEMBL5898052 0.86 ADAM17 (1.00) ADAM17
SCHEMBL5897846 0.86 ADAM17 (1.00) ADAM17
SCHEMBL5897865 0.86 ADAM17 (1.00) ADAM17
SCHEMBL5897800 0.86 ADAM17 (1.00) ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO claimed