SCHEMBL23492971

SCHEMBL23492971

CC(CNCC(=O)NCC(=O)NCc1cc2cnccc2[nH]1)C1(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.45
▸ MASP2 O00187 1/20 0.39
▸ NAMPT P43490 13/20 0.38
▸ F3 P13726 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35

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
SCHEMBL23491362 0.81 F2 (0.44) F2MASP2NAMPTF3MAPK1
SCHEMBL23452339 0.70 F2 (0.48) F2NAMPT
SCHEMBL23491228 0.69 NAMPT (0.46) F2NAMPTF3
SCHEMBL26857543 0.69 F2 (0.59) F2MASP2NAMPTF3F10
SCHEMBL30765591 0.69 NAMPT (0.48) F2NAMPT
SCHEMBL23461311 0.69 F2 (0.52) F2MASP2NAMPTF3F10
SCHEMBL23461309 0.69 F2 (0.52) F2MASP2NAMPTF3F10
SCHEMBL23452548 0.68 F2 (0.61) F2MASP2NAMPTF3F10
SCHEMBL23452545 0.68 F2 (0.61) F2MASP2NAMPTF3F10
SCHEMBL23492969 0.68 MASP2 (0.49) F2MASP2MAPK1

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-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
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