SCHEMBL6895447

SCHEMBL6895447

COOCCC(=O)Nc1cc(Br)ccc1NCC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
USP30 Q70CQ3 2/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRD1 P41143 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 1/20 0.37
TP53 P04637 2/20 0.37
GLA P06280 1/20 0.37
PRMT5 O14744 1/20 0.37
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 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
SCHEMBL1463623 0.88 FPR3 (0.48) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL1462901 0.80 FPR3 (0.50) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL16495526 0.80 FPR3 (0.45) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL6893858 0.80 FPR3 (0.45) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL1462832 0.78 FPR3 (0.44) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL1298827 0.77 FPR3 (0.46) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL1298831 0.77 FPR3 (0.46) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL1462724 0.77 FPR3 (0.47) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL6894084 0.76 FPR3 (0.41) FPR3FPR2KMT2AALDH1A1USP30
SCHEMBL12810104 0.75 FPR2 (0.62) FPR3FPR2KMT2AALDH1A1USP30

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-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed