SCHEMBL7102500

SCHEMBL7102500

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1CCc1ccc(C(=N)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.51
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TMPRSS11D O60235 8/20 0.45
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
TMPRSS6 Q8IU80 2/20 0.42

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
SCHEMBL7102567 0.93 F2 (0.45) F2ALDH1A1SMN1; SMN2F10PLG
SCHEMBL7106036 0.92 F2 (0.53) F2TMPRSS11DF10PLGTMPRSS6
Hydrochloric Acid SCHEMBL7140906 0.91 F2 (0.54) F2TMPRSS11DF10PLGTMPRSS6
SCHEMBL7104148 0.91 ALDH1A1 (0.45) F2ALDH1A1SMN1; SMN2TMPRSS11DPLG
SCHEMBL7105056 0.87 F2 (0.46) F2F10PLG
SCHEMBL7102499 0.85 ALDH1A1 (0.42) F2ALDH1A1SMN1; SMN2F10
SCHEMBL7102491 0.82 F2 (0.42) F2TMPRSS11D
SCHEMBL7463647 0.82 F2 (0.42) F2TMPRSS11DPLG
Hydrochloric Acid SCHEMBL7156977 0.81 F2 (0.43) F2TMPRSS11D
SCHEMBL7102590 0.79 ST14 (0.40) F2F10

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-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed