SCHEMBL28953166

SCHEMBL28953166

CC(NC(=O)[C@H]1C[C@@H](c2ccccc2)CCN1CC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.66
MASP2 O00187 7/20 0.66

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
SCHEMBL23479026 1.00 F2 (0.66) F2MASP2
Trifluoroacetic Acid SCHEMBL23452453 0.95 F2 (0.60) F2MASP2
SCHEMBL23454677 0.92 MASP2 (0.75) F2MASP2
SCHEMBL23454675 0.92 MASP2 (0.75) F2MASP2
SCHEMBL23478457 0.92 F2 (0.64) F2MASP2
SCHEMBL28842104 0.92 F2 (0.65) F2MASP2
SCHEMBL23478619 0.92 F2 (0.65) F2MASP2
SCHEMBL23454624 0.88 F2 (0.68) F2MASP2
SCHEMBL23454620 0.88 F2 (0.68) F2MASP2
SCHEMBL23462030 0.88 F2 (0.61) F2MASP2

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
CN-115103709-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-23 CN disclosed