SCHEMBL5207775

SCHEMBL5207775

O=C(/C=C/c1cccc(-c2ccccc2)c1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.69
HTR2A P28223 1/20 0.69
MCHR1 Q99705 1/20 0.69
RAB9A P51151 3/20 0.65
CCR5 P51681 3/20 0.57
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.53
GAA P10253 4/20 0.50
ACHE P22303 4/20 0.50
BCHE P06276 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49

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
SCHEMBL5207782 1.00 CHRM1 (0.69) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5210155 0.92 CCR5 (0.69) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5204680 0.92 MCHR1 (0.67) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5204675 0.92 MCHR1 (0.67) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5210161 0.92 CCR5 (0.69) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5209543 0.89 CHRM1 (0.63) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5206946 0.89 CHRM1 (0.63) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5212112 0.88 CHRM1 (0.59) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5212106 0.88 CHRM1 (0.59) CHRM1HTR2AMCHR1RAB9ACCR5
SCHEMBL5211224 0.87 MAPT (0.63) CHRM1HTR2AMCHR1RAB9ACCR5

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