SCHEMBL14217504

SCHEMBL14217504

CO/N=C1\C[C@@H](C(=O)OC)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.70
AVPR1A P37288 3/20 0.58
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL14492868 1.00 OXTR (0.70) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5041532 0.92 OXTR (0.68) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5482133 0.92 OXTR (0.68) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5482929 0.88 OXTR (0.64) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5482924 0.88 OXTR (0.64) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL24313533 0.88 AVPR1A (0.73) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL14492869 0.88 AVPR1A (0.73) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5041594 0.88 AVPR1A (0.73) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5041466 0.88 AVPR1A (0.73) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL29642177 0.88 AVPR1A (0.73) OXTRAVPR1AMMP1MMP3MMP7

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-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US disclosed