SCHEMBL20179729

SCHEMBL20179729

CCCCCCC(=O)N1CCNC[C@H]1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 11/20 0.47
GNAI1 P63096 11/20 0.47
GNAO1 P09471 10/20 0.47
NAAA Q02083 2/20 0.44
FAAH O00519 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2850134 0.89 GNAI3 (0.47) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL23658148 0.88 CHRNB2 (0.37) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL6285457 0.87 GNAI3 (0.45) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL25021919 0.83 GNAI3 (0.48) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL25022737 0.83 GNAI3 (0.48) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL25022773 0.83 GNAI3 (0.48) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL8118934 0.82 GNAI3 (0.40) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL30641647 0.81 GNAI3 (0.49) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL27862405 0.79 GNAI3 (0.47) GNAI3GNAI1GNAO1NAAAFAAH
SCHEMBL25022230 0.76 GNAI3 (0.46) GNAI3GNAI1GNAO1NAAA

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
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed