SCHEMBL6209697

SCHEMBL6209697

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
XIAP P98170 2/20 0.33
RORC P51449 1/20 0.32
DHODH Q02127 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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 0.85 TSHR (0.33) TSHRRORCDHODH
SCHEMBL6210140 0.84 TSHR (0.36) TSHRXIAPRORCDHODHPOLB
SCHEMBL6208451 0.81 LMNA (0.32) TSHRRORCDHODHMAPT
SCHEMBL3536088 0.81 XIAP (0.40) TSHRXIAPPOLBMAPTNPC1
SCHEMBL13314800 0.81 XIAP (0.40) TSHRXIAPPOLBMAPTNPC1
SCHEMBL6208826 0.81 TSHR (0.34) TSHRXIAPRORCDHODHRAB9A
SCHEMBL6210046 0.81 PARP1 (0.40) TSHRRORCDHODHPOLBMAPT
SCHEMBL6210989 0.79 TSHR (0.36) TSHRRORCDHODHMAPTNPC1
SCHEMBL6209623 0.79 MAPT (0.36) RORCDHODHPOLBMAPTNPC1
SCHEMBL6210127 0.77 RAB9A (0.39) MAPTNPC1RAB9ASMN1; SMN2

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