SCHEMBL5209508

SCHEMBL5209508

CCOC(=O)C1=Cc2cc(Br)ccc2N(C=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.37
GABRB3 P28472 7/20 0.37
GABRA5 P31644 7/20 0.37
GABRA1 P14867 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 3/20 0.37
GABRA6 Q16445 3/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL6344495 0.87 TUBB4A (0.34) SRD5A1SRD5A2SMN1; SMN2
SCHEMBL7543301 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7544590 0.82 RARA (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7547077 0.82 ALDH1A1 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5205109 0.82 SRD5A1 (0.35) SRD5A1SRD5A2LMNASMN1; SMN2
SCHEMBL3460290 0.81 ALDH1A1 (0.34) GABRA2ALDH1A1SRD5A1SRD5A2SMN1; SMN2
SCHEMBL3460288 0.81 ALDH1A1 (0.34) GABRA2ALDH1A1SRD5A1SRD5A2SMN1; SMN2
SCHEMBL7540580 0.80 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7541107 0.78 OPRK1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5212025 0.78 MAPT (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3

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