SCHEMBL8006880

SCHEMBL8006880

CC(C)C[C@H](NC(=O)c1cccnc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
LNPEP Q9UIQ6 1/20 0.52
LMNA P02545 1/20 0.47
GRIA1 P42261 1/20 0.46
SCN9A Q15858 1/20 0.45
HDAC4 P56524 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
MEF2D Q14814 1/20 0.45
KISS1R Q969F8 1/20 0.45
CTSL P07711 2/20 0.44

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
SCHEMBL1133842 0.89 LMNA (0.51) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL210916 0.89 LMNA (0.51) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL2121460 0.89 LMNA (0.51) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL10336285 0.86 LMNA (0.52) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL10336284 0.86 LMNA (0.52) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL9828179 0.83 LMNA (0.57) LMNASCN9AHDAC1HDAC6CTSL
SCHEMBL2228194 0.83 LMNA (0.57) LMNASCN9AHDAC1HDAC6CTSL
SCHEMBL7415827 0.82 GRIA1 (0.52) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL27536574 0.82 GRIA1 (0.52) LMNAGRIA1HDAC4HDAC3HDAC1
SCHEMBL9002994 0.81 ERAP2 (0.51) ERAP2ERAP1LNPEPCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973801-A1 GnRH ANTAGONISTS FERRING B.V. (NL) 2000-01-26 EP disclosed
WO-1998046635-A1 GnRH ANTAGONISTS FERRING BV (NL) 1998-10-22 WO disclosed