SCHEMBL6208451

SCHEMBL6208451

CCCCN(CC)C(=O)OC1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RORC P51449 1/20 0.31
DHODH Q02127 1/20 0.31
TSHR P16473 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PARP1 P09874 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL6209996 0.91 TSHR (0.33) RORCDHODHTSHRPARP1
SCHEMBL3536640 0.84 MAPT (0.33) LMNAMAPTTSHRABCC1ABCG2
SCHEMBL13314806 0.84 MAPT (0.33) LMNAMAPTTSHRABCC1ABCG2
Formic Acid SCHEMBL3599825 0.81 MAPT (0.31) LMNAMAPTABCC1ABCG2
SCHEMBL6210046 0.79 PARP1 (0.40) LMNAMAPTRORCDHODHTSHR
SCHEMBL6210140 0.79 TSHR (0.36) LMNAMAPTRORCDHODHTSHR
SCHEMBL13314801 0.75 XIAP (0.33) LMNAMAPTTSHRABCC1ABCG2
SCHEMBL3543834 0.75 XIAP (0.33) LMNAMAPTTSHRABCC1ABCG2
SCHEMBL6208826 0.74 TSHR (0.34) LMNARORCDHODHTSHR
SCHEMBL16993688 0.73 MAPT (0.31) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed