SCHEMBL8954875

SCHEMBL8954875

N=C(N)Nc1cccc(C[C@](N)(C(=O)N2CCCCC2C(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.44
▸ PLG P00747 6/20 0.44
▸ F2 P00734 5/20 0.44
▸ ST14 Q9Y5Y6 3/20 0.44
▸ PLAU P00749 3/20 0.44
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ TPSD1 Q9BZJ3 1/20 0.38
▸ TPSG1 Q9NRR2 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
SCHEMBL8955038 0.89 F10 (0.47) F10PLGF2ST14PLAU
Hydrochloric Acid SCHEMBL8954922 0.88 F10 (0.51) F10PLGF2ST14PLAU
SCHEMBL8954624 0.87 F10 (0.41) F10PLGF2ST14PLAU
SCHEMBL8954679 0.87 F10 (0.43) F10PLGF2ST14PLAU
SCHEMBL8954706 0.86 F10 (0.52) F10PLGF2ST14PLAU
SCHEMBL8954645 0.85 F10 (0.40) F10PLGF2ST14PLAU
SCHEMBL8954856 0.85 F10 (0.50) F10PLGF2ST14PLAU
Iodide SCHEMBL9710508 0.84 F10 (0.51) F10PLGF2PLAUPRSS1
SCHEMBL8954993 0.83 CASR (0.41) F10F2PRSS1CAPN1
SCHEMBL9666086 0.83 F10 (0.42) F10PLGF2ST14PLAU

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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