SCHEMBL5208975

SCHEMBL5208975

Cc1ccc(-c2ccc(C=CC(=O)Nc3ccc(CN(C)C4CCOCC4)cc3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.50
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR5 P51681 3/20 0.42
MCHR1 Q99705 4/20 0.41
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 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
SCHEMBL5208961 1.00 CCR2 (0.50) CCR2MEN1NPC1LMNAMAPT
SCHEMBL7681272 0.91 CCR2 (0.46) CCR2MEN1MAPTKMT2ACCR5
SCHEMBL7682396 0.91 MAPK1 (0.49) CCR2NPC1LMNAMAPTCCR5
SCHEMBL7681268 0.91 CCR2 (0.46) CCR2MEN1MAPTKMT2ACCR5
SCHEMBL7682398 0.91 MAPK1 (0.49) CCR2NPC1LMNAMAPTCCR5
SCHEMBL5209450 0.86 CCR2 (0.54) CCR2MEN1NPC1LMNAMAPT
SCHEMBL5209438 0.86 CCR2 (0.54) CCR2MEN1NPC1LMNAMAPT
SCHEMBL5208968 0.82 CCR2 (0.48) CCR2MEN1NPC1LMNAMAPT
Iodide SCHEMBL5206286 0.82 CCR2 (0.73) CCR2CCR5
Iodide SCHEMBL5206291 0.82 CCR2 (0.73) CCR2CCR5

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