SCHEMBL24892015

SCHEMBL24892015

CC(C)(C)OC(=O)NCCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(Br)cc4)(CC2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.56
FPR2 P25090 10/20 0.55
FPR3 P25089 9/20 0.55
CNR1 P21554 1/20 0.47
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
DRD2 P14416 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30182484 0.93 NAMPT (0.56) NAMPTFPR2FPR3CNR1USP2
SCHEMBL24892366 0.90 NAMPT (0.57) NAMPTFPR2FPR3CA2CA1
SCHEMBL24891966 0.88 FPR3 (0.65) NAMPTFPR2FPR3CTSSCTSK
SCHEMBL24891748 0.85 FPR3 (0.49) FPR2FPR3DRD2RAB9ASMN1; SMN2
SCHEMBL1065312 0.85 CA2 (0.55) NAMPTFPR2FPR3CNR1LMNA
SCHEMBL24891960 0.85 FPR2 (0.52) NAMPTFPR2FPR3CNR1USP2
SCHEMBL24891926 0.84 FPR3 (0.63) NAMPTFPR2FPR3CTSSCTSK
SCHEMBL24669430 0.84 NAMPT (0.55) NAMPTFPR2FPR3CNR1USP2
SCHEMBL24892005 0.82 FPR2 (0.49) NAMPTFPR2FPR3CNR1USP2
SCHEMBL24891956 0.81 FPR3 (0.62) NAMPTFPR2FPR3CTSSCTSK

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
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
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