SCHEMBL19022018

SCHEMBL19022018

CCNC(=O)C(C)(C)C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
SSTR4 P31391 12/20 0.36
SSTR1 P30872 5/20 0.35
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
HTR1D P28221 1/20 0.33
HTR1F P30939 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL8744422 0.81 BCHE (0.50) GNAI3GNAO1GNAI1BCHE
SCHEMBL19010275 0.80 SSTR4 (0.35) SSTR4SSTR1HTR1F
SCHEMBL23894245 0.79 SSTR4 (0.34) SSTR4SSTR1HTR1F
SCHEMBL8744430 0.77 GNAI3 (0.43) SSTR4GNAI3GNAO1GNAI1BCHE
SCHEMBL19000028 0.76 SIGMAR1 (0.45) KMT2ASSTR4HTR1F
SCHEMBL15721227 0.74 CHRM3 (0.38) KMT2ASSTR4GNAI3GNAO1GNAI1
SCHEMBL18979956 0.72 GAA (0.37) SSTR4GNAI3GNAO1GNAI1
SCHEMBL29722328 0.72 NCF1 (0.35) KMT2ASSTR4GNAI3GNAO1GNAI1
SCHEMBL12719407 0.71 BCHE (0.49) KMT2AGNAI3GNAO1GNAI1BCHE
SCHEMBL8744405 0.70 GNAO1 (0.48) GNAI3GNAO1GNAI1BCHE

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-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed