SCHEMBL5209450

SCHEMBL5209450

Cc1ccc(-c2csc(C=CC(=O)Nc3ccc(CN(C)C4CCOCC4)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.54
CCR5 P51681 4/20 0.42
HDAC1 Q13547 1/20 0.41
MCHR1 Q99705 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 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
SCHEMBL5209438 1.00 CCR2 (0.54) CCR2CCR5HDAC1MCHR1RAB9A
SCHEMBL5208975 0.86 CCR2 (0.50) CCR2CCR5HDAC1MCHR1RAB9A
SCHEMBL5208961 0.86 CCR2 (0.50) CCR2CCR5HDAC1MCHR1RAB9A
SCHEMBL5210797 0.83 CCR2 (0.55) CCR2CCR5HDAC1TRPV1
SCHEMBL5210801 0.83 CCR2 (0.55) CCR2CCR5HDAC1TRPV1
SCHEMBL5207606 0.81 CCR2 (0.51) CCR2CCR5RAB9ALMNAMAPT
SCHEMBL5207601 0.81 CCR2 (0.51) CCR2CCR5RAB9ALMNAMAPT
SCHEMBL5241416 0.79 CCR2 (0.49) CCR2CCR5HDAC1RAB9AHTT
SCHEMBL3859074 0.79 LMNA (0.58) CCR2MCHR1RAB9ALMNAMAPT
SCHEMBL3859076 0.79 LMNA (0.58) CCR2MCHR1RAB9ALMNAMAPT

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