SCHEMBL5210207

SCHEMBL5210207

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 5/20 0.45
PIK3CA P42336 1/20 0.44
LGMN Q99538 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 3/20 0.43
PRKDC P78527 1/20 0.42
GAA P10253 6/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MC4R P32245 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL7382860 0.83 SMN1; SMN2 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5206687 0.83 KMO (0.47) MEN1KMT2ALMNAPIK3CAMAPT
SCHEMBL7382482 0.81 CA12 (0.47) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7388942 0.80 ALOX5 (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5209415 0.79 CCR2 (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7380758 0.79 CA12 (0.47) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL7697013 0.79 NPC1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7382857 0.79 MAPT (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5550241 0.78 ALDH1A1 (0.52) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL7702964 0.77 NPC1 (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2

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