SCHEMBL6159617

SCHEMBL6159617

CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MCL1 Q07820 2/20 0.46
FPR2 P25090 1/20 0.43
F2 P00734 2/20 0.42
ECE1 P42892 1/20 0.42
P2RY12 Q9H244 1/20 0.41
CCKBR P32239 1/20 0.41
GHSR Q92847 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
SCHEMBL6159620 1.00 MEN1 (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL8409553 0.90 MCL1 (0.50) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6163982 0.84 GHSR (0.46) F2P2RY12GHSR
SCHEMBL6163995 0.84 GHSR (0.46) F2P2RY12GHSR
Hydrochloric Acid SCHEMBL6161046 0.84 GHSR (0.46) F2P2RY12GHSR
Hydrochloric Acid SCHEMBL6161045 0.84 GHSR (0.46) F2P2RY12GHSR
SCHEMBL6164202 0.82 MEN1 (0.58) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6164208 0.82 MEN1 (0.58) MEN1KMT2AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6166036 0.82 F2 (0.41) MEN1KMT2AFPR2F2P2RY12
SCHEMBL6170408 0.80 SMYD3 (0.46) MEN1KMT2AHDAC8

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 disclosed