SCHEMBL6233397

SCHEMBL6233397

NCCCOc1nc(OCCCN)nc(OCCCN)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
ODC1 P11926 1/20 0.41
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH1 P35367 1/20 0.34
AKT1 P31749 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CLK2 P49760 1/20 0.33
PRKX P51817 1/20 0.33
ROCK1 Q13464 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
SCHEMBL10620297 0.82 TAAR1 (0.40) HTR1BPOLBMAPK1HSD17B10TAAR1
SCHEMBL9934524 0.80 HTR1B (0.34) HTR1BODC1NOS3NOS1NOS2
SCHEMBL17994203 0.74 CA12 (0.40) HRH1NFKB1
SCHEMBL14301474 0.72 TAAR1 (0.33) HTR1BPOLBMAPK1HSD17B10TAAR1
SCHEMBL12384254 0.70 LOX (0.42) POLBMAPK1HSD17B10
SCHEMBL899058 0.70 NR5A1 (0.43)
SCHEMBL12384147 0.70 ALDH1A1 (0.36) POLBMAPK1HSD17B10
SCHEMBL991452 0.69 TAAR1 (0.56) TAAR1
SCHEMBL16447478 0.69 TAAR1 (0.44) HTR1BODC1AKT1NOS3NOS1
SCHEMBL11587263 0.69 NR5A1 (0.47)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088021-B1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM EUROTECH LTD (US) 2005-04-20 EP claimed
EP-1088021-A1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM Eurotech, Ltd. (US) 2001-04-04 EP claimed
US-6120905-A FORMED BY CROSSLINKING CYCLOCARBONATE OLIGOMER(S), AT LEAST ONE ALSO HAVING EPOXY GROUPS, AND AT LEAST ONE AMINE OLIGOMER; COMPOSITE WITH POLYURETHANE MATRIX AND REINFORCEMENT; CHEMICAL RESISTANCE, NONHYDROLYZING EUROTECH, LTD. (US) 2000-09-19 US claimed
WO-1999065969-A1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM EUROTECH, LTD. (US) 1999-12-23 WO claimed
EP-1088021-B1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM EUROTECH LTD (US) 2005-04-20 EP disclosed
EP-1088021-A1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM Eurotech, Ltd. (US) 2001-04-04 EP disclosed
US-6120905-A FORMED BY CROSSLINKING CYCLOCARBONATE OLIGOMER(S), AT LEAST ONE ALSO HAVING EPOXY GROUPS, AND AT LEAST ONE AMINE OLIGOMER; COMPOSITE WITH POLYURETHANE MATRIX AND REINFORCEMENT; CHEMICAL RESISTANCE, NONHYDROLYZING EUROTECH, LTD. (US) 2000-09-19 US disclosed
WO-1999065969-A1 HYBRID NONISOCYANATE POLYURETHANE NETWORK POLYMERS AND COMPOSITES FORMED THEREFROM EUROTECH, LTD. (US) 1999-12-23 WO disclosed