SCHEMBL6208744

SCHEMBL6208744

N=C(N)Nc1nc2c(s1)CC(OC(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 8/20 0.41
ALDH1A1 P00352 5/20 0.41
TP53 P04637 5/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
GCK P35557 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
SCHEMBL1030450 0.85 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6210542 0.85 MAPT (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6210026 0.84 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6209136 0.82 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1076278 0.82 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3537545 0.81 PDK1 (0.56) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6208532 0.80 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13314769 0.77 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3540501 0.77 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3536924 0.75 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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