SCHEMBL14615411

SCHEMBL14615411

NCCNCCC[C@H]1CN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)CCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 14/20 0.49
DPP4 P27487 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MC4R P32245 4/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 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
SCHEMBL1748676 0.85 DPP4 (0.49) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748677 0.85 DPP4 (0.49) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748433 0.85 DPP4 (0.49) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748434 0.85 DPP4 (0.49) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748767 0.82 DPP4 (0.47) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748770 0.82 DPP4 (0.47) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748779 0.82 DPP4 (0.48) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL4778870 0.82 DPP4 (0.48) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL4778879 0.82 DPP4 (0.48) HDAC8DPP4HDAC1HDAC3HDAC2
SCHEMBL1748778 0.82 DPP4 (0.48) HDAC8DPP4HDAC1HDAC3HDAC2

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
WO-2007021990-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed