SCHEMBL8150385

SCHEMBL8150385

CC1[C@@H](C)C[C@@H](C(=O)NCc2cc(Cl)ccc2-n2cnnn2)N1C(=O)[C@H](O)c1cc(Cl)cc(OC(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.54
PRSS1 P07477 2/20 0.54
F9 P00740 1/20 0.54
F10 P00742 1/20 0.54
PLAT P00750 1/20 0.54
F11 P03951 1/20 0.54
KLKB1 P03952 1/20 0.54
F7 P08709 1/20 0.54
TBXA2R P21731 1/20 0.54
PRSS3 P35030 1/20 0.54
CYP3A4 P08684 5/20 0.53
KCNH2 Q12809 3/20 0.47
MASP2 O00187 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
SCHEMBL4193501 0.90 F2 (0.55) F2PRSS1F9F10PLAT
SCHEMBL8144224 0.87 CYP3A4 (0.63) F2PRSS1F9F10PLAT
SCHEMBL8143173 0.82 CYP3A4 (0.57) F2PRSS1F9F10PLAT
SCHEMBL4199818 0.82 CYP3A4 (0.68) F2PRSS1F9F10PLAT
SCHEMBL4199816 0.82 CYP3A4 (0.68) F2PRSS1F9F10PLAT
SCHEMBL8150553 0.81 CYP3A4 (0.55) F2PRSS1F9F10PLAT
SCHEMBL8145574 0.81 CYP3A4 (0.57) F2PRSS1F9F10PLAT
SCHEMBL8150982 0.79 CYP3A4 (0.57) F2PRSS1F9F10PLAT
SCHEMBL8133904 0.79 CYP3A4 (0.52) F2PRSS1F9F10PLAT
SCHEMBL8136992 0.78 CYP3A4 (0.54) F2PRSS1F9F10PLAT

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
WO-2009004383-A2 AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2009-01-08 WO disclosed