SCHEMBL8488954

SCHEMBL8488954

CCCCCC(CC)C1CNCCN1C(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PABPC1 P11940 1/20 0.32
GNAI3 P08754 5/20 0.32
GNAO1 P09471 5/20 0.32
GNAI1 P63096 5/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8488097 0.75 DPP4 (0.37) DPP4DPP7SIGMAR1GNAI3GNAO1
SCHEMBL6225365 0.72 GNAI3 (0.35) DPP4DPP7SIGMAR1GNAI3GNAO1
SCHEMBL8531483 0.71 SIGMAR1 (0.34) DPP4DPP7SIGMAR1GNAI3GNAO1
SCHEMBL10935772 0.68 HTR7 (0.45) DPP4DPP7MEN1KMT2ACYP2D6
SCHEMBL10289656 0.66 DPP4 (0.50) DPP4DPP7SIGMAR1MEN1KMT2A
SCHEMBL10289644 0.66 DPP4 (0.50) DPP4DPP7SIGMAR1MEN1KMT2A
SCHEMBL27862405 0.66 GNAI3 (0.47) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL27800903 0.64 MEN1 (0.38) DPP4DPP7SIGMAR1MEN1KMT2A
SCHEMBL6495579 0.64 LMNA (0.33) GNAI3GNAO1GNAI1
SCHEMBL19748690 0.63 CA1 (0.39) SIGMAR1GNAI3GNAO1GNAI1CYP2D6

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
US-5869488-A Piperazino derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1999-02-09 US disclosed