SCHEMBL6209996

SCHEMBL6209996

CCCN(CCC)C(=O)OC1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.33
DHODH Q02127 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL6208451 0.91 LMNA (0.32) TSHRRORCDHODHPARP1
SCHEMBL6209697 0.85 TSHR (0.34) TSHRRORCDHODH
SCHEMBL6210989 0.83 TSHR (0.36) TSHRRORCDHODHPARP1
SCHEMBL6210046 0.82 PARP1 (0.40) TSHRRORCDHODHPARP1
SCHEMBL3543834 0.82 XIAP (0.33) TSHRPARP1
SCHEMBL13314801 0.82 XIAP (0.33) TSHRPARP1
SCHEMBL6210140 0.82 TSHR (0.36) TSHRRORCDHODHPARP1
SCHEMBL6209623 0.80 MAPT (0.36) RORCDHODH
SCHEMBL6208826 0.77 TSHR (0.34) TSHRRORCDHODH
SCHEMBL3536640 0.75 MAPT (0.33) TSHRPARP1

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 2 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