SCHEMBL7653534

SCHEMBL7653534

N=C(N)NCCCC(NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 9/20 0.57
C3AR1 Q16581 1/20 0.53
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 4/20 0.46
ADAMTS5 Q9UNA0 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
SCHEMBL7651910 0.86 KMT2A (0.54) C3AR1MEN1KMT2AADAMTS5
SCHEMBL7649508 0.86 KMT2A (0.54) C3AR1MEN1KMT2AADAMTS5
SCHEMBL10277213 0.83 C3AR1 (0.53) C3AR1
SCHEMBL4407484 0.83 C3AR1 (0.53) C3AR1
SCHEMBL6768020 0.80 FOLH1 (0.59) FOLH1
SCHEMBL631840 0.80 FOLH1 (0.59) FOLH1
SCHEMBL5145708 0.80 FOLH1 (0.59) FOLH1
SCHEMBL10786296 0.80 FOLH1 (0.57) C3AR1FOLH1
SCHEMBL10786282 0.80 FOLH1 (0.57) C3AR1FOLH1
Hydrochloric Acid SCHEMBL333889 0.79 FOLH1 (0.58) FOLH1

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