SCHEMBL6199732

SCHEMBL6199732

O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.60
TACR2 P21452 1/20 0.56
SRC P12931 2/20 0.50
CASP1 P29466 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
APP P05067 1/20 0.48
NPY1R P25929 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
RAMP1 O60894 2/20 0.48
CALCRL Q16602 2/20 0.48
FKBP1A P62942 1/20 0.47

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
SCHEMBL14603133 0.89 CASP3 (0.64) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL5650545 0.89 CASP3 (0.64) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL14641301 0.89 CASP3 (0.64) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL14603128 0.86 CASP3 (0.61) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL14603132 0.86 CASP3 (0.61) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL14641489 0.86 CASP3 (0.61) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL6601810 0.86 CASP3 (0.68) CASP3TACR2CASP1
SCHEMBL28777681 0.85 CASP3 (0.54) CASP3TACR2SRCCASP1ALDH1A1
SCHEMBL13043811 0.84 CASP3 (0.53) CASP3CASP1ALDH1A1GAACTSL
SCHEMBL14337553 0.84 CASP3 (0.53) CASP3CASP1ALDH1A1GAACTSL

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-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed