SCHEMBL6238826

SCHEMBL6238826

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.70
PTPN1 P18031 2/20 0.59
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
NAMPT P43490 2/20 0.47
CXCR3 P49682 2/20 0.47

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
SCHEMBL7738204 0.89 HDAC8 (0.60) HDAC8PTPN1TDP1NPSR1
SCHEMBL7485383 0.85 HDAC8 (0.56) HDAC8PTPN1NPSR1CXCR3
SCHEMBL7485387 0.85 HDAC8 (0.56) HDAC8PTPN1NPSR1CXCR3
SCHEMBL9033397 0.85 HDAC8 (0.53) HDAC8PTPN1TDP1NAMPT
SCHEMBL9033407 0.85 HDAC8 (0.53) HDAC8PTPN1TDP1NAMPT
SCHEMBL6394595 0.85 PTPN1 (0.84) HDAC8PTPN1
SCHEMBL6394602 0.85 PTPN1 (0.84) HDAC8PTPN1
SCHEMBL11986410 0.84 HDAC8 (0.53) HDAC8PTPN1TDP1NAMPTCXCR3
SCHEMBL8295418 0.84 HDAC8 (0.55) HDAC8PTPN1TDP1
SCHEMBL6470048 0.84 HDAC8 (0.55) HDAC8PTPN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005056013-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056013-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541148-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP disclosed