SCHEMBL6594121

SCHEMBL6594121

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(C(=O)Nc3ccc(Cl)cn3)c2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.49
▸ F10 P00742 13/20 0.47
▸ ADK P55263 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL6596904 0.86 F10 (0.45) PTPN11F10NR3C1SMN1; SMN2HTT
SCHEMBL6591490 0.85 F10 (0.59) F10SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7590490 0.85 F10 (0.44) F10SMN1; SMN2NPSR1TSHRALDH1A1
SCHEMBL6591567 0.84 F10 (0.59) F10ALDH1A1
SCHEMBL6591209 0.83 F10 (0.50) F10SMN1; SMN2TSHR
SCHEMBL6593519 0.81 F10 (0.62) F10MEN1KMT2ATSHRL3MBTL1
SCHEMBL6108686 0.81 F10 (0.56) F10
SCHEMBL6714046 0.81 F10 (0.58) F10
SCHEMBL4858776 0.79 F10 (0.51) F10SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6592051 0.79 F2 (0.58) F10

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
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 — — EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 — — US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 — — US disclosed
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