SCHEMBL7086784

SCHEMBL7086784

CO/N=C1\C[C@@H](C(=O)NC[C@@H](O)c2ccc(O)cc2)N(C(=O)c2ccc(-c3c(C)cccc3C)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.74
AVPR1A P37288 3/20 0.74
OPRM1 P35372 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
MMP1 P03956 3/20 0.31
MMP3 P08254 3/20 0.31
MMP7 P09237 3/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ADRB3 P13945 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 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
SCHEMBL7086568 0.94 OXTR (0.85) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL5478502 0.92 OXTR (0.72) OXTRAVPR1AOPRM1LMNAADRB3
SCHEMBL5478504 0.92 OXTR (0.72) OXTRAVPR1AOPRM1LMNAADRB3
SCHEMBL7087086 0.90 OXTR (0.90) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL7088046 0.86 OXTR (0.76) OXTRAVPR1A
SCHEMBL4942975 0.85 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4936354 0.85 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4936174 0.85 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL5743780 0.85 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4943198 0.85 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1

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 2 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
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed