SCHEMBL9504669

SCHEMBL9504669

CN(OC1CCCCO1)C(=O)c1ccc(C=CCCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
OXTR P30559 3/20 0.36
AVPR1A P37288 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GPR52 Q9Y2T5 2/20 0.36
OPRM1 P35372 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
SCHEMBL9506049 0.85 MEN1 (0.46) MGLLOXTRAVPR1AMEN1KMT2A
SCHEMBL11020227 0.84 OXTR (0.40) OXTRAVPR1AMEN1KMT2A
SCHEMBL22454527 0.81 MEN1 (0.41) OXTRAVPR1AMEN1KMT2A
SCHEMBL9508263 0.80 P2RX3 (0.48) MGLLMEN1KMT2A
SCHEMBL30854384 0.79 MGLL (0.41) MGLLMEN1KMT2ALMNA
SCHEMBL28741494 0.75 MEN1 (0.38) MGLLOXTRAVPR1AMEN1KMT2A
SCHEMBL22454537 0.75 NPC1 (0.41) OXTRAVPR1AMEN1KMT2ALMNA
SCHEMBL22454709 0.74 KMT2A (0.40) OXTRMEN1KMT2ALMNA
SCHEMBL22454696 0.74 KMT2A (0.40) OXTRMEN1KMT2ALMNA
SCHEMBL9504873 0.74 GPR52 (0.48) BCHEACHEGPR52

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
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed