SCHEMBL9258802

SCHEMBL9258802

N=C(N)c1ccc(NC(=O)C2CCCC2C(=O)NCC(C(=O)O)c2ncco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.45
KLK5 Q9Y337 1/20 0.40
CYP2C19 P33261 1/20 0.39
F7 P08709 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35

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
SCHEMBL9257981 0.98 F2 (0.43) F2KLK5CYP2C19F7GAA
SCHEMBL9258823 0.84 GAA (0.35) CYP2C19GAAMAPTRAB9A
SCHEMBL9257997 0.82 GAA (0.37) CYP2C19GAAMAPTRAB9A
SCHEMBL9262498 0.82 F2 (0.45) F2KLK5CYP2C19F7GAA
SCHEMBL9264866 0.76 F2 (0.42) F2KLK5CYP2C19F7F10
SCHEMBL9264977 0.75 F2 (0.41) F2KLK5CYP2C19F7RAB9A
SCHEMBL9263614 0.74 KLK5 (0.40) F2KLK5F7F10PRSS1
SCHEMBL9258794 0.74 F2 (0.44) F2KLK5CYP2C19F7GAA
SCHEMBL7352341 0.74 F7 (0.47) F2F7F10PRSS1PLAU
SCHEMBL7344436 0.74 F7 (0.47) F2F7F10PRSS1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed