SCHEMBL5892009

SCHEMBL5892009

O=C(NCCC1=NCCN1)NCCC1=NCCN1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
NISCH Q9Y2I1 2/20 0.43
ADRA1D P25100 9/20 0.41
ADRA1A P35348 9/20 0.41
ADRA1B P35368 9/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL5892084 0.89 ADRA1D (0.43) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL1581097 0.87 MAOA (0.46) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL5891993 0.86 MAOA (0.41) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL12388680 0.78 ADRA1A (0.47) ADRA1AADRA1B
SCHEMBL19051506 0.78 LMNA (0.43) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL5892007 0.76 ADRA1D (0.41) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL10715562 0.76 DNM1 (0.49) ADRA1DADRA1AADRA1B
SCHEMBL1362592 0.75 NISCH (0.65) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL20835085 0.74 ADRA1A (0.50) MAOAMAOBNISCHADRA1DADRA1A
SCHEMBL9740242 0.73 ALDH1A1 (0.51) MAOAMAOBNISCHADRA1DADRA1A

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 6 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 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