SCHEMBL4739747

SCHEMBL4739747

CC(C)CC1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)CCN1C(=O)C(N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MC4R P32245 8/20 0.54
DPP4 P27487 1/20 0.52
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
AKT3 Q9Y243 1/20 0.48

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
SCHEMBL4739742 1.00 HDAC8 (0.54) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14615411 0.81 HDAC8 (0.49) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1748434 0.78 DPP4 (0.49) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1748433 0.78 DPP4 (0.49) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3792052 0.78 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3792055 0.78 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1748779 0.78 DPP4 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1748778 0.78 DPP4 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778879 0.78 DPP4 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778870 0.78 DPP4 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6

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-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed