SCHEMBL5563142

SCHEMBL5563142

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(OCc3ccccc3)cc2C[C@@H]1C(=O)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.43
HDAC8 Q9BY41 3/20 0.42
BCL2 P10415 1/20 0.40
PTPN1 P18031 1/20 0.40
CXCR3 P49682 2/20 0.39
SCN9A Q15858 1/20 0.39
KMT2A Q03164 1/20 0.38
YAP1 P46937 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5563821 0.89 KDM4E (0.49) GHSRHDAC8CXCR3KMT2ALMNA
SCHEMBL5568606 0.89 HDAC8 (0.44) GHSRHDAC8BCL2PTPN1YAP1
SCHEMBL5563160 0.89 HDAC8 (0.44) GHSRHDAC8BCL2PTPN1YAP1
2,2,2-Trifluoroethanaminium SCHEMBL8254767 0.89 GHSR (0.42) GHSRHDAC8BCL2PTPN1SCN9A
SCHEMBL5563179 0.86 KDM4E (0.37) HDAC8CXCR3SCN9AKMT2A
SCHEMBL5568561 0.86 KDM4E (0.39) CXCR3SCN9AKMT2ALMNAPOLB
SCHEMBL7038631 0.81 KDM4E (0.51) LMNA
SCHEMBL7042026 0.81 KDM4E (0.51) LMNA
SCHEMBL5563327 0.81 CXCR3 (0.35) CXCR3SCN9AKMT2A
SCHEMBL5568286 0.78 CTSK (0.34) CXCR3SCN9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed