SCHEMBL11029594

SCHEMBL11029594

CC(O)[C@@H]1NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.72
HDAC4 P56524 2/20 0.72
HDAC1 Q13547 2/20 0.72
HDAC7 Q8WUI4 2/20 0.72
HDAC2 Q92769 2/20 0.72
HDAC10 Q969S8 2/20 0.72
HDAC11 Q96DB2 2/20 0.72
HDAC8 Q9BY41 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
HDAC5 Q9UQL6 2/20 0.72
SSTR2 P30874 7/20 0.65
SSTR5 P35346 7/20 0.65
SSTR4 P31391 5/20 0.65
SSTR3 P32745 3/20 0.65
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57

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
SCHEMBL10795629 1.00 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30480651 0.96 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10794973 0.90 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1373163 0.88 SSTR2 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24173210 0.86 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10827586 0.86 SSTR5 (0.68) SSTR2SSTR5SSTR4SSTR3
Hymenamide J SCHEMBL31603791 0.86 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24172946 0.84 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29356129 0.83 SSTR4 (0.65) SSTR2SSTR5SSTR4SSTR3
SCHEMBL24173211 0.82 NECTIN4 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0145768-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY, David Howard (US) 1985-06-26 EP disclosed
WO-1984004916-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY DAVID HOWARD (US) 1984-12-20 WO disclosed