SCHEMBL809739

SCHEMBL809739

CCCCCCCCN(C)C1CCCCN2CCCN=C12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DNM1 Q05193 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
SCHEMBL10717970 0.94 NOS3 (0.31)
SCHEMBL18138397 0.88 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL580781 0.82 NOS3 (0.32)
SCHEMBL17215357 0.76 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL809756 0.76 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL8147596 0.76 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL809794 0.76 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL809360 0.76 INMT (0.37)
SCHEMBL17328037 0.71 NOS3 (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL16591592 0.71 NOS3 (0.37) CHRNB2CHRNA7CHRNA4ALDH1A1

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-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed