SCHEMBL7609980

SCHEMBL7609980

N=C(N)c1ccc(CCOc2cc(Cl)cc(OS(=O)(=O)c3ccc(F)cc3Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.60
▸ F10 P00742 2/20 0.53
▸ CTRC Q99895 3/20 0.43
▸ PRSS2 P07478 3/20 0.39
▸ CACNA1B Q00975 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
SCHEMBL7607206 0.80 F2 (0.69) F2F10CTRCPRSS2
SCHEMBL7607232 0.80 F2 (0.82) F2F10CTRCPRSS2
SCHEMBL7522874 0.79 F2 (0.75) F2F10CTRCPRSS2
SCHEMBL5866196 0.71 F2 (0.83) F2F10CTRCPRSS2CACNA1B
Hydrochloric Acid SCHEMBL5866080 0.70 F2 (0.81) F2F10CTRCPRSS2CACNA1B
SCHEMBL6553380 0.69 F2 (1.00) F2F10CTRCPRSS2
SCHEMBL7604953 0.69 F2 (0.77) F2F10PRSS2CACNA1B
Hydrochloric Acid SCHEMBL6553373 0.69 F2 (0.98) F2F10CTRCPRSS2
SCHEMBL5866292 0.66 F2 (0.60) F2F10PRSS2CACNA1B
SCHEMBL5866370 0.66 F2 (0.58) F2F10CTRCPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP claimed
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