SCHEMBL6769258

SCHEMBL6769258

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.51
▸ STS P08842 4/20 0.50
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ NR3C1 P04150 2/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL6108406 0.88 F10 (0.58) F10STSPTPN2PTPN1PTPN6
SCHEMBL6769439 0.88 F10 (0.51) F10STSPTPN2PTPN1PTPN6
SCHEMBL6106348 0.88 F10 (0.51) F10STSPTPN2PTPN1PTPN6
SCHEMBL6773664 0.86 F10 (0.57) F10STSPTPN2PTPN1PTPN6
SCHEMBL6106883 0.85 F10 (0.49) F10STSPTPN2PTPN1PTPN6
SCHEMBL6107829 0.85 F10 (0.61) F10STSPTPN2PTPN1PTPN6
SCHEMBL5384090 0.85 F10 (0.71) F10STSNR3C1
SCHEMBL6106396 0.83 F10 (0.54) F10STSPTPN2PTPN1PTPN6
Hydrochloric Acid SCHEMBL6772450 0.83 F10 (0.70) F10RAB9AMAPK1
SCHEMBL6108664 0.82 F10 (0.63) F10STSNR3C1

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
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