SCHEMBL7651910

SCHEMBL7651910

N=C(N)NCCC[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
PPARG P37231 2/20 0.54
NCOA2 Q15596 2/20 0.54
NCOA1 Q15788 2/20 0.54
NCOA3 Q9Y6Q9 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
C3AR1 Q16581 1/20 0.53
RECQL P46063 2/20 0.53
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
CTSD P07339 6/20 0.49
POLB P06746 2/20 0.47
PTPN7 P35236 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL7649508 1.00 KMT2A (0.54) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL7653534 0.86 GPR34 (0.57) KMT2AMEN1C3AR1ADAMTS5
SCHEMBL7648460 0.84 C3AR1 (0.53) KMT2AMEN1C3AR1POLBCASP3
SCHEMBL7648470 0.84 C3AR1 (0.53) KMT2AMEN1C3AR1POLBCASP3
SCHEMBL9752048 0.83 KMT2A (0.57) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL7859236 0.83 C3AR1 (0.49) KMT2AMEN1C3AR1CTSDPOLB
SCHEMBL7652741 0.82 C3AR1 (0.44) KMT2AMEN1C3AR1RECQLRAB9A
SCHEMBL30585604 0.81 MC4R (0.46) KMT2AMEN1HTTC3AR1RAB9A
SCHEMBL27856688 0.81 MC4R (0.46) KMT2AMEN1HTTC3AR1RAB9A
Naphthylamine SCHEMBL27915557 0.81 C3AR1 (0.46) C3AR1TGM2CYP3A4

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