SCHEMBL24892005

SCHEMBL24892005

CC(C)(C)OC(=O)NCCc1ccc(NC(=O)C2CCC3(C(=O)Nc4ccc(Br)cc4)CCCC2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.49
FPR3 P25089 15/20 0.49
NAMPT P43490 1/20 0.44
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL24891960 0.87 FPR2 (0.52) FPR2FPR3NAMPTUSP2LMNA
SCHEMBL24892015 0.82 NAMPT (0.56) FPR2FPR3NAMPTUSP2LMNA
SCHEMBL30182484 0.80 NAMPT (0.56) FPR2FPR3NAMPTUSP2LMNA
SCHEMBL24891718 0.75 FPR2 (0.43) FPR2
SCHEMBL1065312 0.73 CA2 (0.55) FPR2FPR3NAMPTLMNACNR1
SCHEMBL24892366 0.73 NAMPT (0.57) FPR2FPR3NAMPT
SCHEMBL24891966 0.72 FPR3 (0.65) FPR2FPR3NAMPT
SCHEMBL24669430 0.72 NAMPT (0.55) FPR2FPR3NAMPTUSP2LMNA
SCHEMBL28416288 0.70 NAMPT (0.54) FPR2FPR3NAMPT
SCHEMBL24891926 0.70 FPR3 (0.63) FPR2FPR3NAMPT

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed