SCHEMBL24891748

SCHEMBL24891748

CC(C)(C)OC(=O)Nc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(Br)cc4)(CC2)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 6/20 0.49
FPR2 P25090 6/20 0.49
BCL2 P10415 5/20 0.47
BECN1 Q14457 5/20 0.47
CYP17A1 P05093 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PSMB8 P28062 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GHSR Q92847 1/20 0.43
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL24891966 0.87 FPR3 (0.65) FPR3FPR2MEN1KMT2A
SCHEMBL467281 0.87 KMT2A (0.56) BCL2BECN1CYP17A1NPC1RAB9A
SCHEMBL24892015 0.85 NAMPT (0.56) FPR3FPR2RAB9ADRD2SMN1; SMN2
SCHEMBL24891926 0.83 FPR3 (0.63) FPR3FPR2MEN1KMT2A
SCHEMBL6235125 0.82 FAAH (0.56) FPR3FPR2NPC1RAB9AMEN1
SCHEMBL206442 0.82 CYP17A1 (0.59) BCL2BECN1CYP17A1NPC1RAB9A
SCHEMBL24892032 0.81 FPR2 (0.51) FPR3FPR2BCL2BECN1KMT2A
SCHEMBL30182265 0.80 FPR3 (0.50) FPR3FPR2MEN1KMT2AGHSR
SCHEMBL24891994 0.80 FPR3 (0.50) FPR3FPR2MEN1KMT2AGHSR
SCHEMBL6268190 0.80 FAAH (0.63) FPR3FPR2GHSRFAAHTRPV1

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