SCHEMBL5891996

SCHEMBL5891996

NC(=O)NCCN1C=NCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MTNR1A P48039 1/20 0.31

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
SCHEMBL5892013 0.86 KDM4E (0.35) POLB
SCHEMBL11535179 0.83 MTNR1A (0.40) DRD2MTNR1A
SCHEMBL11534730 0.80 MTNR1A (0.41) DRD2MTNR1A
SCHEMBL11643386 0.79 ALDH1A1 (0.37)
SCHEMBL10715567 0.73 FAAH (0.48)
SCHEMBL4411242 0.72 MAPT (0.47) POLB
SCHEMBL28886735 0.72
SCHEMBL6742043 0.71
SCHEMBL9740247 0.71 GLA (0.37) POLB
SCHEMBL11609568 0.69 SMN1; SMN2 (0.41)

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