SCHEMBL7682396

SCHEMBL7682396

CC(C)c1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(CN(C)C4CCOCC4)cc3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CCR5 P51681 1/20 0.42
CCR2 P41597 7/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCHR1 Q99705 3/20 0.39
EGFR P00533 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ENPP2 Q13822 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
SCHEMBL7682398 1.00 MAPK1 (0.49) MAPK1ALDH1A1GAAMAPTCCR5
SCHEMBL5208975 0.91 CCR2 (0.50) ALDH1A1MAPTCCR5CCR2LMNA
SCHEMBL5208961 0.91 CCR2 (0.50) ALDH1A1MAPTCCR5CCR2LMNA
SCHEMBL7681272 0.88 CCR2 (0.46) MAPK1MAPTCCR5CCR2SMN1; SMN2
SCHEMBL7681268 0.88 CCR2 (0.46) MAPK1MAPTCCR5CCR2SMN1; SMN2
Iodide SCHEMBL5211221 0.83 CCR2 (0.60) MAPK1ALDH1A1GAAMAPTCCR5
Iodide SCHEMBL7924182 0.83 CCR2 (0.60) MAPK1ALDH1A1GAAMAPTCCR5
SCHEMBL3859074 0.77 LMNA (0.58) MAPK1ALDH1A1GAAMAPTCCR2
SCHEMBL3859076 0.77 LMNA (0.58) MAPK1ALDH1A1GAAMAPTCCR2
SCHEMBL5209450 0.77 CCR2 (0.54) MAPK1ALDH1A1GAAMAPTCCR5

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-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