SCHEMBL5210801

SCHEMBL5210801

Cc1ccc(-c2cncc(C=CC(=O)Nc3ccc(CN(C)C4CCOCC4)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.55
CCR5 P51681 4/20 0.44
HDAC1 Q13547 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
EGFR P00533 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL5210797 1.00 CCR2 (0.55) CCR2CCR5HDAC1TRPV1PRMT6
SCHEMBL5209450 0.83 CCR2 (0.54) CCR2CCR5HDAC1TRPV1
SCHEMBL5209438 0.83 CCR2 (0.54) CCR2CCR5HDAC1TRPV1
SCHEMBL3859076 0.81 LMNA (0.58) CCR2TRPV1EGFRMMP1MMP2
SCHEMBL3859074 0.81 LMNA (0.58) CCR2TRPV1EGFRMMP1MMP2
SCHEMBL5207606 0.80 CCR2 (0.51) CCR2CCR5
SCHEMBL5207601 0.80 CCR2 (0.51) CCR2CCR5
SCHEMBL5241416 0.80 CCR2 (0.49) CCR2CCR5HDAC1ACHEEGFR
SCHEMBL7220493 0.80 HDAC1 (0.41) CCR2HDAC1
SCHEMBL7220496 0.80 HDAC1 (0.41) CCR2HDAC1

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-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