SCHEMBL5205276

SCHEMBL5205276

CCC(CC)N(C)Cc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
GFER P55789 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MAPK1 P28482 2/20 0.38
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A4 P31645 3/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 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
SCHEMBL5206826 0.82 ADRA2B (0.47) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL5209583 0.82 MAPT (0.42) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL27521397 0.81 MAPT (0.44) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL5209951 0.79 MAPT (0.40) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL15146911 0.79 ADRA2B (0.57) ALDH1A1CYP3A4TSHRTP53SLC6A4
SCHEMBL5204980 0.79 MAPT (0.46) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL57323 0.73 HRH3 (0.64) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL22679007 0.73 ADRA2B (0.50) ALDH1A1CYP3A4TSHRSLC6A4ADRA2B
SCHEMBL17571424 0.73 ADRA2B (0.50) ALDH1A1CYP3A4TSHRSLC6A4ADRA2B
SCHEMBL3148019 0.72 MAPT (0.52) MAPTTDP1ALDH1A1CYP3A4TSHR

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 12 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-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US 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