SCHEMBL1383941

SCHEMBL1383941

CO/N=C1/CC(CCC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.55
AVPR1A P37288 3/20 0.55
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FKBP1A P62942 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
USP2 O75604 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
SCHEMBL1383944 1.00 OXTR (0.55) OXTRAVPR1AMAPTALDH1A1FKBP1A
SCHEMBL4430007 1.00 OXTR (0.55) OXTRAVPR1AMAPTALDH1A1FKBP1A
SCHEMBL4422768 0.92 OXTR (0.57) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4422772 0.92 OXTR (0.57) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL13789768 0.85 OXTR (0.63) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL8319369 0.85 OXTR (0.63) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4418288 0.85 OXTR (0.63) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4418290 0.85 OXTR (0.63) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4416737 0.84 MAPT (0.48) MAPTALDH1A1FKBP1AKMT2AMEN1
SCHEMBL4416740 0.84 MAPT (0.48) MAPTALDH1A1FKBP1AKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4773335-B2 2011-09-14 JP claimed
EP-1597229-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-11-23 EP claimed
WO-2004076407-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-09-10 WO claimed