SCHEMBL5206687

SCHEMBL5206687

O=C(O)C1=Cc2cc(N3CCOCC3)ccc2OCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
PRKDC P78527 4/20 0.45
SLC16A3 O15427 1/20 0.43
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
MAPT P10636 6/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5206505 0.91 CCR5 (0.42) KMOPRKDCMAPTNPC1RAB9A
SCHEMBL5212207 0.84 CCR5 (0.41) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL5206221 0.83 LMNA (0.43) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL5210207 0.83 MEN1 (0.45) PRKDCPIK3CAMAPTNPC1RAB9A
SCHEMBL5209370 0.81 CHEK1 (0.46) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6755749 0.76 ALOX5 (0.43) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6756803 0.75 MEN1 (0.52) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL6755727 0.75 CA12 (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6756847 0.75 MEN1 (0.37) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5208747 0.72 PTGS2 (0.48) PIK3CAPIK3CBMAPTNPC1RAB9A

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 10 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
CN-1282326-A Anilide derivative, process for producing the same, and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN 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