SCHEMBL4707101

SCHEMBL4707101

CCCCCN(CCCN)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.41
TAAR1 Q96RJ0 1/20 0.39
KCNH2 Q12809 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR8 Q9NR97 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL11324855 0.90 KCNH2 (0.45) KCNH2SIGMAR1ESR2
SCHEMBL27602017 0.90 KCNH2 (0.45) KCNH2SIGMAR1ESR2
SCHEMBL9153842 0.90 KCNH2 (0.45) KCNH2SIGMAR1ESR2
Hydrochloric Acid SCHEMBL3133262 0.88 KCNH2 (0.44) KCNH2SIGMAR1ESR2
Hydrochloric Acid SCHEMBL29169329 0.88 KCNH2 (0.44) KCNH2SIGMAR1ESR2
Bromide SCHEMBL28602627 0.88 KCNH2 (0.44) KCNH2SIGMAR1CYP2D6CYP2C19ESR2
Hydrochloric Acid SCHEMBL9154688 0.88 KCNH2 (0.44) KCNH2SIGMAR1ESR2
Hydrochloric Acid SCHEMBL9173523 0.88 KCNH2 (0.44) KCNH2SIGMAR1ESR2
Hydrochloric Acid SCHEMBL2942551 0.78 KCNH2 (0.45) KCNH2SIGMAR1
SCHEMBL10528612 0.75 KCNH2 (0.44) KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630609-B1 Printing plate material and printing plate KONICA MINOLTA MED & GRAPHIC (JP) 2008-10-01 EP disclosed
US-7223522-B2 comprising image forming layers on the surfaces of polyester supports having backing layers, exhibit excellent print durability and image quality KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-29 US disclosed
EP-1630609-A1 Printing plate material and printing plate Konica Minolta Medical & Graphic, Inc. (JP) 2006-03-01 EP disclosed
US-20060040207-A1 comprising image forming layers on the surfaces of polyester supports having backing layers, exhibit excellent print durability and image quality KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2006-02-23 US disclosed