SCHEMBL10801901

SCHEMBL10801901

CN(C)CCC(CCN)OC(CCN)CCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 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
SCHEMBL301693 0.87 HTR2A (0.37) TDP1HTR2AHRH1
SCHEMBL10719656 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19TDP1
SCHEMBL811336 0.78 DNM1 (0.35) HTR2AHRH1
SCHEMBL10719786 0.74 ALDH1A1 (0.50) HTR2AHRH1
SCHEMBL3404463 0.73 PRMT3 (0.39) CYP2C9CYP2C19TDP1
SCHEMBL12076978 0.73 PRMT3 (0.48)
SCHEMBL4603220 0.71 DNM1 (0.50)
SCHEMBL4602294 0.71 DNM1 (0.50)
SCHEMBL11230062 0.71 DNM1 (0.50)
SCHEMBL4602895 0.71 DNM1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228837-A2 Radiation sterilizable propylene polymer compositions and articles manufactured therefrom REXENE PRODUCTS COMPANY (A Delaware Corporation) (US) 1987-07-15 EP disclosed
US-4352913-A EPOXY RESIN CURING AGENTS CIBA-GEIGY CORPORATION (US) 1982-10-05 US disclosed
US-4324739-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1982-04-13 US disclosed