SCHEMBL5892084

SCHEMBL5892084

O=C(NCCCC1=NCCN1)NCCCC1=NCCN1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.43
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
CXCR4 P61073 3/20 0.37
HTR1D P28221 1/20 0.36

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
SCHEMBL5892009 0.89 MAOA (0.43) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL5892007 0.87 ADRA1D (0.41) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL24279415 0.78 MAOA (0.46) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL1581097 0.77 MAOA (0.46) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL9575185 0.77 NISCH (0.55) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL14886904 0.77 HTR1D (0.46) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL5891993 0.76 MAOA (0.41) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL989780 0.75 NISCH (0.53) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL11132101 0.75 NISCH (0.53) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL11132599 0.75 NISCH (0.53) ADRA1DADRA1AADRA1BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262500-B1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORP (JP) 2015-12-30 EP claimed
US-20040147705-A1 Catalyst for production of a polyurethane resin and method for producting a polyurethane resin TOSOH CORPORATION (JP) 2004-07-29 US claimed
US-6723819-B2 TERTIARY NITROGEN CATALYSTS THAT MAY BE AMINES, IMIDAZOLES, AND/OR UREAS TOSOH CORPORATION (JP) 2004-04-20 US claimed
US-20030088046-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2003-05-08 US claimed
EP-1262500-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin Tosoh Corporation (JP) 2002-12-04 EP claimed
EP-1262500-B1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORP (JP) 2015-12-30 EP disclosed
US-7064172-B2 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2006-06-20 US disclosed
US-20040147705-A1 Catalyst for production of a polyurethane resin and method for producting a polyurethane resin TOSOH CORPORATION (JP) 2004-07-29 US disclosed
US-6723819-B2 TERTIARY NITROGEN CATALYSTS THAT MAY BE AMINES, IMIDAZOLES, AND/OR UREAS TOSOH CORPORATION (JP) 2004-04-20 US disclosed
US-20030088046-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2003-05-08 US disclosed
EP-1262500-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin Tosoh Corporation (JP) 2002-12-04 EP disclosed