SCHEMBL15345847

SCHEMBL15345847

CC(N(C)C)N(C(N)=O)C(C)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL21748 0.73 ALOX5 (0.42) ALOX5TDP1ALDH1A1LMNAALOX15
SCHEMBL9565384 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27729016 0.71 ALOX5 (0.41) ALOX5LMNAALOX15BLMPMP22
Hydrochloric Acid SCHEMBL13519387 0.71 ALOX5 (0.41) ALOX5LMNAALOX15BLMPMP22
SCHEMBL194830 0.71 ALOX5 (0.46) ALOX5LMNAALOX15BLMPMP22
SCHEMBL6531906 0.71 ALOX5 (0.41) ALOX5LMNAALOX15BLMPMP22
SCHEMBL19641937 0.69 ALOX5 (0.39) ALOX5LMNAALOX15BLMPMP22
SCHEMBL9004343 0.67 TSHR (0.34) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL9004330 0.67 TDP1 (0.32) TDP1
SCHEMBL35600 0.67 TDP1 (0.35) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657129-B2 Cyclic amine compound and process for producing polyurethane resin by using it TOSOH CORPORATION (JP) 2017-05-23 US disclosed
US-20170114247-A1 PROCESSES FOR MOISTURE SCAVENGING IN PREPARING POLYURETHANE COATINGS AND COMPOSITIONS THEREFOR Achiewell, LLC 2017-04-27 US disclosed
EP-2657237-B1 CYCLIC AMINE COMPOUND, AND PROCESS FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2015-05-20 EP disclosed
US-20130289232-A1 NOVEL CYCLIC AMINE COMPOUND AND PROCESS FOR PRODUCING POLYURETHANE RESIN BY USING IT TOSOH CORPORATION (JP) 2013-10-31 US disclosed
EP-2657237-A1 NOVEL CYCLIC AMINE COMPOUND, AND PROCESS FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2013-10-30 EP disclosed