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Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL3455408

C1CC1.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(NC(=O)O)cc(S(F)(F)(F)(F)F)c1)C2

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 6/20 0.51
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL1194037 0.92 F2R (0.52) F2RMAPTKDM4ECYP2C9CYP2C19
SCHEMBL12878354 0.90 F2R (0.54) F2RMAPTKDM4EGAASMN1; SMN2
SCHEMBL1194012 0.90 F2R (0.51) F2RMAPTALDH1A1
SCHEMBL1194788 0.89 F2R (0.51) F2RMAPTALDH1A1
SCHEMBL1194123 0.89 F2R (0.52) F2RMAPTTP53KDM4EALDH1A1
SCHEMBL12878402 0.88 F2R (0.53) F2R
SCHEMBL1193870 0.86 F2R (0.56) F2RMAPTKDM4EALDH1A1GAA
SCHEMBL1193916 0.86 F2R (0.56) F2RMAPTKDM4EALDH1A1GAA
SCHEMBL1193970 0.86 F2R (0.56) F2RMAPTKDM4EALDH1A1GAA
SCHEMBL3455508 0.85 F2R (0.55) F2RMAPTKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 — — EP claimed
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 — — EP disclosed
EP-2242740-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-27 — — EP disclosed
WO-2009097972-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed