SCHEMBL5620892

SCHEMBL5620892

O=C(NC1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.57
F10 P00742 7/20 0.51
FPR1 P21462 7/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 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
SCHEMBL5619976 0.89 FPR2 (0.57) FPR2F10FPR1HPGD
SCHEMBL5620894 0.86 FPR2 (0.53) FPR2F10FPR1ALDH1A1HPGD
SCHEMBL4486124 0.76 FPR2 (0.68) FPR2F10FPR1
SCHEMBL23142150 0.76 FPR2 (0.80) FPR2FPR1
SCHEMBL22179684 0.76 FPR2 (0.80) FPR2FPR1
SCHEMBL4490944 0.75 F10 (0.54) FPR2F10FPR1ALDH1A1HPGD
SCHEMBL5619981 0.75 FPR2 (0.53) FPR2F10FPR1HPGDMAOB
SCHEMBL4464011 0.74 FPR2 (0.53) FPR2F10FPR1ALDH1A1HPGD
SCHEMBL4464013 0.73 F10 (0.54) FPR2F10FPR1ALDH1A1
SCHEMBL4475463 0.73 F10 (0.54) FPR2F10FPR1ALDH1A1

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
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US claimed