SCHEMBL6768558

SCHEMBL6768558

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccncc2C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPN6 P29350 1/20 0.57
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
GPR119 Q8TDV5 5/20 0.49
STS P08842 4/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL6768553 0.90 PTPN2 (0.56) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL22788738 0.83 PTPN2 (0.58) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL6773664 0.83 F10 (0.57) PTPN2PTPN1PTPN6KMT2ASTS
SCHEMBL6108238 0.80 PTPN2 (0.57) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL27511463 0.80 PTPN2 (0.77) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL6107200 0.80 KMT2A (0.57) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL30304404 0.79 DYRK1A (0.53) KMT2ANPC1RAB9AGPR119MEN1
SCHEMBL21056670 0.79 DYRK1A (0.53) KMT2ANPC1RAB9AGPR119MEN1
SCHEMBL13188215 0.79 PTPN2 (0.67) PTPN2PTPN1PTPN6KMT2ANPC1
SCHEMBL27023071 0.78 GPR119 (0.61) PTPN2PTPN1PTPN6KMT2ANPC1

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
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed