SCHEMBL7652741

SCHEMBL7652741

COc1ccc2c(OCC(=O)NC(CCCNC(=N)N)C(=O)O)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.44
CASP3 P42574 3/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 5/20 0.40
MTNR1B P49286 3/20 0.40
OGG1 O15527 1/20 0.40
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL7648470 0.89 C3AR1 (0.53) C3AR1CASP3ALDH1A1POLBHPGD
SCHEMBL7648460 0.89 C3AR1 (0.53) C3AR1CASP3ALDH1A1POLBHPGD
SCHEMBL7649508 0.82 KMT2A (0.54) C3AR1CASP3POLBHPGDRECQL
SCHEMBL7651910 0.82 KMT2A (0.54) C3AR1CASP3POLBHPGDRECQL
SCHEMBL7649702 0.80 POLB (0.52) C3AR1ALDH1A1POLBHPGDMAPT
SCHEMBL7860325 0.79 C3AR1 (0.45) C3AR1OGG1KMT2A
SCHEMBL7652750 0.79 MTNR1A (0.40) ALDH1A1POLBHPGDCYP2D6MTNR1A
SCHEMBL7653534 0.75 GPR34 (0.57) C3AR1MAPTMEN1KMT2A
SCHEMBL7859236 0.74 C3AR1 (0.49) C3AR1ALDH1A1POLBTP53MEN1
SCHEMBL3256313 0.73 MEN1 (0.57) ALDH1A1HPGDCYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489339-B1 C3A receptor ligands SMITHKLINE BEECHAM CORPORATION 2002-12-03 US claimed
EP-1119357-A1 C3A RECEPTOR LIGANDS SmithKline Beecham Corporation (US) 2001-08-01 EP claimed
WO-2000009129-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO claimed
US-6489339-B1 C3A receptor ligands SMITHKLINE BEECHAM CORPORATION 2002-12-03 US disclosed
EP-1119357-A1 C3A RECEPTOR LIGANDS SmithKline Beecham Corporation (US) 2001-08-01 EP disclosed
WO-2000009129-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO disclosed