SCHEMBL6208532

SCHEMBL6208532

CC(C)CCNC(=O)OC1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 8/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 6/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6209136 0.89 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL13314812 0.83 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL3538338 0.83 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6208744 0.80 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA
Formic Acid SCHEMBL3603162 0.80 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6210026 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6208826 0.79 TSHR (0.34) RAB9ASMN1; SMN2LMNATSHR
SCHEMBL6210542 0.77 MAPT (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL13314888 0.74 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL3536924 0.73 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA

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