SCHEMBL24891718

SCHEMBL24891718

O=C(O)C1CCC2(C(=O)Nc3ccc(Br)cc3)CCCC1C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.43
FPR1 P21462 1/20 0.43
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
P2RX7 Q99572 1/20 0.40
HDAC1 Q13547 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL24892005 0.75 FPR2 (0.49) FPR2
SCHEMBL24891651 0.72 MAOA (0.49) FPR2FPR1KMT2AP2RX7HDAC1
SCHEMBL7824367 0.67 RAB9A (0.72) KMT2ARAB9AMEN1
SCHEMBL24892105 0.67 MAOA (0.46) FPR2FPR1KMT2AP2RX7HDAC1
SCHEMBL24891682 0.67 MAOA (0.49) KMT2ANPC1RAB9AP2RX7HDAC1
SCHEMBL30074435 0.66 KMT2A (0.53) FPR2KMT2ANPC1RAB9AHDAC1
SCHEMBL21025340 0.65 FPR2 (0.59) FPR2FPR1
SCHEMBL22453144 0.65 MAOA (0.50) FPR2FPR1KMT2AHDAC1MEN1
SCHEMBL19473737 0.64 RAB9A (0.64) FPR2FPR1KMT2ANPC1RAB9A
SCHEMBL23509616 0.64 RAB9A (0.64) FPR2FPR1KMT2ANPC1RAB9A

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