SCHEMBL6170408

SCHEMBL6170408

CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C(N)Cc1c[nH]c3ccccc13)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.46
SOS1 Q07889 5/20 0.46
DPP4 P27487 2/20 0.46
BAZ2B Q9UIF8 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NLN Q9BYT8 1/20 0.42
KRAS P01116 1/20 0.42
AKT1 P31749 1/20 0.41
NR3C1 P04150 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
Hydrochloric Acid SCHEMBL6164060 0.99 SMYD3 (0.46) SMYD3SOS1DPP4BAZ2BHDAC8
SCHEMBL6163995 0.86 GHSR (0.46)
SCHEMBL6163982 0.86 GHSR (0.46)
Hydrochloric Acid SCHEMBL6161046 0.86 GHSR (0.46)
Hydrochloric Acid SCHEMBL6161045 0.86 GHSR (0.46)
SCHEMBL8412937 0.84 GHSR (0.39) BAZ2BMEN1KMT2A
SCHEMBL5022639 0.82 DPP4 (0.63) SMYD3SOS1DPP4HDAC8MEN1
Hydrochloric Acid SCHEMBL6164070 0.82 HDAC8 (0.46) DPP4BAZ2BHDAC8MEN1KMT2A
Hydrochloric Acid SCHEMBL6166036 0.81 F2 (0.41) MEN1KMT2A
SCHEMBL6159620 0.80 MEN1 (0.52) HDAC8MEN1KMT2A

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed