SCHEMBL7086467

SCHEMBL7086467

CO/N=C1\C[C@@H](C(=O)NCCO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.75
OXTR P30559 5/20 0.75
LMNA P02545 2/20 0.40
AVPR2 P30518 3/20 0.40
PDE5A O76074 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
FFAR2 O15552 3/20 0.38
SLC6A7 Q99884 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
GHSR Q92847 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4942915 1.00 AVPR1A (0.75) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL7086396 0.95 AVPR1A (0.73) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL4940423 0.95 AVPR1A (0.73) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL5759282 0.91 OXTR (0.73) AVPR1AOXTRAVPR2FFAR2
SCHEMBL4942676 0.91 OXTR (0.73) AVPR1AOXTRAVPR2FFAR2
SCHEMBL4939162 0.91 OXTR (0.73) AVPR1AOXTRLMNAFFAR2MMP1
SCHEMBL4944329 0.91 OXTR (0.73) AVPR1AOXTRLMNAFFAR2MMP1
SCHEMBL4945222 0.89 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4945483 0.89 AVPR1A (0.75) AVPR1AOXTRLMNAAVPR2FFAR2
SCHEMBL4938918 0.88 OXTR (0.85) AVPR1AOXTRLMNAAVPR2FFAR2

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