SCHEMBL5209951

SCHEMBL5209951

COCC(COC)N(C)Cc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PYCR1 P32322 3/20 0.37
CYP19A1 P11511 4/20 0.36
TDP1 Q9NUW8 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
MAPK1 P28482 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8119402 0.83 GFER (0.42) CYP19A1GFERHRH3
SCHEMBL5205276 0.79 MAPT (0.47) MAPTPYCR1TDP1ALDH1A1CYP3A4
SCHEMBL5209583 0.78 MAPT (0.42) MAPTPYCR1TDP1ALDH1A1CYP3A4
SCHEMBL5205433 0.76 PYCR1 (0.52) MAPTPYCR1TDP1ALDH1A1CYP3A4
SCHEMBL5204980 0.75 MAPT (0.46) MAPTPYCR1TDP1ALDH1A1CYP3A4
SCHEMBL3151763 0.73 LTA4H (0.47) MAPTPYCR1ALDH1A1TSHRKCNH2
SCHEMBL19382891 0.72 ADRA2B (0.46) MAPTALDH1A1TSHRADRA2BADRA2C
SCHEMBL5528121 0.71 MAPT (0.46) MAPTCYP19A1TDP1ALDH1A1CYP3A4
SCHEMBL3143360 0.70 MAPT (0.59) MAPTCYP19A1TDP1ALDH1A1CYP3A4
SCHEMBL5206826 0.70 ADRA2B (0.47) MAPTPYCR1TDP1ALDH1A1CYP3A4

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