SCHEMBL5207046

SCHEMBL5207046

CN(CCCC(=O)OC(C)(C)C)c1ccc(Br)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
ERN1 O75460 2/20 0.37
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
KDM4E B2RXH2 3/20 0.33
AAK1 Q2M2I8 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2A6 P11509 2/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7487895 0.88 ALDH3A1 (0.41) PTGDR2ERN1FPR3FPR2KDM4E
SCHEMBL6341793 0.87 FPR3 (0.36) PTGDR2ERN1FPR3FPR2KDM4E
SCHEMBL7543969 0.86 EGFR (0.41) PTGDR2ERN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6338761 0.86 PTGDR2 (0.34) PTGDR2ERN1FPR3FPR2KDM4E
SCHEMBL7541385 0.84 ALDH1A1 (0.44) PTGDR2ERN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6343429 0.84 PTGDR2 (0.35) PTGDR2ERN1FPR3FPR2NPC1
SCHEMBL7541400 0.83 PTGDR2 (0.46) PTGDR2ERN1KDM4EALDH1A1LMNA
SCHEMBL5549984 0.80 PTGDR2 (0.45) PTGDR2ERN1KDM4EALDH1A1LMNA
SCHEMBL5551206 0.79 PTGDR2 (0.44) PTGDR2ERN1KDM4EALDH1A1LMNA
SCHEMBL6339824 0.78 PTGDR2 (0.39) PTGDR2ERN1FPR3FPR2KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed