SCHEMBL6209136

SCHEMBL6209136

CCCNC(=O)OC1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 7/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
HRH2 P25021 2/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL6208532 0.89 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6210026 0.83 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6208744 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL13314816 0.82 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL3533425 0.82 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6210542 0.80 MAPT (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6210989 0.78 TSHR (0.36) RAB9ANPC1MAPTLMNATHRB
SCHEMBL3536924 0.75 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL13314762 0.74 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL3542473 0.74 RAB9A (0.44) 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