SCHEMBL6209623

SCHEMBL6209623

CN(CCc1ccccc1)C(=O)OC1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT3 P36888 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NPY5R Q15761 1/20 0.34
NAPEPLD Q6IQ20 6/20 0.34
RORC P51449 1/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13314804 0.85 MAPT (0.40) MAPTALDH1A1POLBRAB9AGAA
SCHEMBL3535006 0.85 MAPT (0.40) MAPTALDH1A1POLBRAB9AGAA
SCHEMBL6211289 0.81 MAPT (0.38) MAPTALDH1A1POLBRAB9AGAA
SCHEMBL6209996 0.80 TSHR (0.33) RORCDHODH
SCHEMBL6210127 0.79 RAB9A (0.39) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL6209697 0.79 TSHR (0.34) MAPTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6210140 0.78 TSHR (0.36) MAPTALDH1A1POLBRAB9AGAA
SCHEMBL6208451 0.77 LMNA (0.32) MAPTRORCDHODHLMNA
SCHEMBL3172354 0.76 ADORA3 (0.48) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL6210046 0.75 PARP1 (0.40) MAPTALDH1A1POLBRAB9AGAA

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