SCHEMBL1907356

SCHEMBL1907356

CCCCCC1CCCCN(N)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 4/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL6739162 0.98 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL9488981 0.88 CYP1A2 (0.38) CHRNB2CHRNA7CHRNA4ALDH1A1CYP1A2
SCHEMBL28869330 0.87 CYP1A2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1CYP1A2
SCHEMBL11070667 0.82 ALDH1A1 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL9692949 0.81 NOS3 (0.43) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL28358596 0.81 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL28355004 0.79 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL15958842 0.79 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL28542197 0.79 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL28358578 0.78 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011053801-A2 METHODS AND COSMETIC PREPARATIONS FOR THE SUSTAINED DELIVERY OF THERAPEUTIC AGENTS TO THE EYE INTRATUS, INC. (US) 2011-05-05 WO disclosed
WO-2011053792-A2 METHODS AND COMPOSITIONS FOR SUSTAINED DELIVERY OF DRUGS INTRATUS, INC. (US) 2011-05-05 WO disclosed