SCHEMBL8940566

SCHEMBL8940566

CC(I)(N1CCNCC1)N1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.31
HRH1 P35367 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20750637 0.83 HPGD (0.32) ADRB1
SCHEMBL1070718 0.79 OPRD1 (0.32)
SCHEMBL29322147 0.77 CXCR4 (0.34) SMN1; SMN2TDP1
SCHEMBL6556071 0.77 ADRB1 (0.33) ADRB1
SCHEMBL104919 0.77 ADRB1 (0.33) ADRB1
SCHEMBL9582917 0.77 ADRB1 (0.33) ADRB1
SCHEMBL3888868 0.77 ADRB1 (0.33) ADRB1
Hydrochloric Acid SCHEMBL2422010 0.74 HPGD (0.33) ADRB1
SCHEMBL4448044 0.74 HIF1A (0.35) ADRB1SMN1; SMN2
Bromide SCHEMBL4160212 0.74 ADRB1 (0.32) ADRB1

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-0706550-A4 MANNICH CONDENSATION PRODUCTS OF POLY(OXYALKYLENE) HYDROXYAROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEM CO (US) 1996-09-18 EP disclosed
EP-0706550-A1 MANNICH CONDENSATION PRODUCTS OF POLY(OXYALKYLENE) HYDROXYAROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1996-04-17 EP disclosed
WO-1995029971-A1 MANNICH CONDENSATION PRODUCTS OF POLY(OXYALKYLENE) HYDROXYAROMATIC CARBAMATES AND FUEL COMPOSITIONS CONTAINING THE SAME CHEVRON CHEMICAL COMPANY (US) 1995-11-09 WO disclosed