SCHEMBL28024571

SCHEMBL28024571

C=CCC(CC#N)N1CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL27912389 0.92 SLC6A2 (0.33)
SCHEMBL152174 0.92 SLC6A2 (0.36)
SCHEMBL148027 0.91 IDO1 (0.31)
SCHEMBL151687 0.90 SLC6A2 (0.35)
SCHEMBL150311 0.90 SLC6A2 (0.35)
SCHEMBL151641 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL152160 0.85 SLC6A2 (0.31)
SCHEMBL150188 0.72
SCHEMBL152849 0.71
SCHEMBL3874532 0.70 SLC6A2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103025816-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2015-07-22 CN disclosed