SCHEMBL7649702

SCHEMBL7649702

Cc1cccc(OCC(=O)NC(CCCNC(=N)N)C(=O)O)c1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
C3AR1 Q16581 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
ALPL P05186 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7648460 0.84 C3AR1 (0.53) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7648470 0.84 C3AR1 (0.53) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7652741 0.80 C3AR1 (0.44) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7649508 0.77 KMT2A (0.54) POLBMEN1KMT2AC3AR1TDP1
SCHEMBL7651910 0.77 KMT2A (0.54) POLBMEN1KMT2AC3AR1TDP1
SCHEMBL7860325 0.77 C3AR1 (0.45) KMT2AC3AR1
SCHEMBL7653534 0.76 GPR34 (0.57) MEN1KMT2AMAPTC3AR1
SCHEMBL1568736 0.75 C3AR1 (0.83) C3AR1
SCHEMBL1568729 0.75 C3AR1 (0.83) C3AR1
Benzene SCHEMBL6278673 0.73 C3AR1 (0.49) C3AR1

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