SCHEMBL7681268

SCHEMBL7681268

CN(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)s2)cc1)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.46
MCHR1 Q99705 4/20 0.39
CCR5 P51681 1/20 0.39
TRPV1 Q8NER1 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 2/20 0.38
HDAC1 Q13547 1/20 0.37
CNR2 P34972 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
SCHEMBL7681272 1.00 CCR2 (0.46) CCR2MCHR1CCR5TRPV1MEN1
SCHEMBL5208975 0.91 CCR2 (0.50) CCR2MCHR1CCR5MEN1MAPT
SCHEMBL5208961 0.91 CCR2 (0.50) CCR2MCHR1CCR5MEN1MAPT
SCHEMBL7682396 0.88 MAPK1 (0.49) CCR2MCHR1CCR5TRPV1MAPT
SCHEMBL7682398 0.88 MAPK1 (0.49) CCR2MCHR1CCR5TRPV1MAPT
SCHEMBL7933310 0.80 CCR2 (0.44) CCR2TRPV1MEN1MAPTTSHR
SCHEMBL5209450 0.77 CCR2 (0.54) CCR2MCHR1CCR5TRPV1MEN1
SCHEMBL5209438 0.77 CCR2 (0.54) CCR2MCHR1CCR5TRPV1MEN1
SCHEMBL3859076 0.75 LMNA (0.58) CCR2MCHR1TRPV1MEN1MAPT
SCHEMBL3859074 0.75 LMNA (0.58) CCR2MCHR1TRPV1MEN1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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