SCHEMBL5743780

SCHEMBL5743780

CO/N=C1\CC(C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 1.00
AVPR1A P37288 5/20 1.00
AVPR2 P30518 2/20 0.37
FFAR2 O15552 4/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4936181 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4936354 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4936543 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4940385 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4943198 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL5483892 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL5743785 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4942975 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4936174 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2
SCHEMBL4938934 1.00 OXTR (1.00) OXTRAVPR1AAVPR2FFAR2ROCK2

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
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed