SCHEMBL7085939

SCHEMBL7085939

CO/N=C1\C[C@@H](C(=O)NC(CO)CO)N(C(=O)c2ccc(-c3ccccc3C)cc2C)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.61
OXTR P30559 5/20 0.61
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
AVPR2 P30518 4/20 0.35
FFAR2 O15552 3/20 0.34
ABCB1 P08183 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
BCAT2 O15382 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4949415 1.00 AVPR1A (0.61) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL4943070 0.86 OXTR (0.63) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL5133132 0.86 AVPR1A (0.63) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL4945500 0.85 OXTR (0.61) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL6095546 0.84 OXTR (0.62) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL5743869 0.84 OXTR (0.84) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL5743871 0.84 OXTR (0.84) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL7088497 0.84 OXTR (0.84) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL4943223 0.83 OXTR (0.59) AVPR1AOXTRMMP1MMP3MMP7
SCHEMBL4943016 0.82 OXTR (0.60) AVPR1AOXTRMMP1MMP3MMP7

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-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed