SCHEMBL14435216

SCHEMBL14435216

N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccccc2CCCCN2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 13/20 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
▸ AKT1 P31749 1/20 0.46
▸ AKT2 P31751 1/20 0.46
▸ AKT3 Q9Y243 1/20 0.46
▸ MC4R P32245 2/20 0.46
▸ FPR3 P25089 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ OPRK1 P41145 2/20 0.41
▸ EPHX2 P34913 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
SCHEMBL14431088 0.90 HDAC8 (0.52) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435563 0.86 HDAC8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713297 0.84 HDAC8 (0.51) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL13002996 0.82 HDAC8 (0.46) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435595 0.80 AKT1 (0.45) AKT1MC4ROPRK1
SCHEMBL12713306 0.80 HDAC8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778471 0.79 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713158 0.79 MC4R (0.47) MC4RFPR3FPR2EPHX2
SCHEMBL14436414 0.78 UGCG (0.43) HDAC8MC4RFPR3FPR2EPHX2
SCHEMBL14435946 0.77 HDAC8 (0.44) 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-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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