SCHEMBL5206801

SCHEMBL5206801

O=C(O)C1=Cc2cc(-c3ccc(N4CCOCC4)cc3)ccc2SCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.42
KMO O15229 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
LRRK2 Q5S007 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7685365 0.87 MRGPRX4 (0.41) AOC3LMNACTSLCTSBCTSS
SCHEMBL3499129 0.79 MCL1 (0.40) ALDH1A1MAPTHPGDCCR5MEN1
SCHEMBL5206505 0.79 CCR5 (0.42) AOC3KMOPRKAB2PRKAG1PRKAA2
SCHEMBL6351873 0.77 PRKAB2 (0.43) AOC3KMOPRKAB2PRKAG1PRKAA2
SCHEMBL7929505 0.76 KMO (0.39) AOC3KMOPRKAB2PRKAG1PRKAA2
SCHEMBL7682561 0.76 ALDH1A1 (0.42) PRKAG1PRKAA1PRKAB1ALDH1A1MAPT
SCHEMBL6341402 0.76 CYP11B1 (0.41) AOC3KMOPRKAB2PRKAG1PRKAA2
SCHEMBL6343442 0.76 AOC3 (0.40) AOC3KMOPRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL7971793 0.76 AOC3 (0.40) AOC3KMOPRKAB2PRKAG1PRKAA2
SCHEMBL5206017 0.75 ALDH1A1 (0.41) LMNAALDH1A1MAPTNPC1TP53

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 7 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
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed