SCHEMBL809756

SCHEMBL809756

CCCCCCCCC1CCCCN2CCCN=C12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.31
INMT O95050 1/20 0.31
EPHX1 P07099 1/20 0.31
LSS P48449 2/20 0.31
BCHE P06276 1/20 0.30
CYP1A2 P05177 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
SCHEMBL809794 1.00 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4NOS3NOS1
SCHEMBL8147596 1.00 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4NOS3NOS1
SCHEMBL17215357 1.00 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4NOS3NOS1
SCHEMBL17328037 0.95 NOS3 (0.36) CHRNB2CHRNA7CHRNA4NOS3NOS1
SCHEMBL20473727 0.85 CHRNB2 (0.31) CHRNB2CHRNA7CHRNA4
SCHEMBL16591592 0.82 NOS3 (0.37) CHRNB2CHRNA7CHRNA4NOS3NOS1
SCHEMBL15437769 0.81 NOS1 (0.53) NOS3NOS1NOS2USP2INMT
SCHEMBL810036 0.78 NOS1 (0.35) NOS3NOS1NOS2ALDH1A1USP2
SCHEMBL16591593 0.78 NOS3 (0.37) NOS3NOS1NOS2USP2INMT
SCHEMBL18138397 0.77 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4NOS3NOS1

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