SCHEMBL9506049

SCHEMBL9506049

CN(OC1CCCCO1)C(=O)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MGLL Q99685 2/20 0.45
OXTR P30559 5/20 0.42
AVPR1A P37288 4/20 0.42
OPRM1 P35372 1/20 0.40

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
SCHEMBL11020227 0.88 OXTR (0.40) MEN1KMT2AOXTRAVPR1A
SCHEMBL30854384 0.88 MGLL (0.41) MEN1KMT2ALMNAMGLL
SCHEMBL22454527 0.87 MEN1 (0.41) MEN1KMT2AOXTRAVPR1A
SCHEMBL9508809 0.86 MGLL (0.44) MEN1KMT2ALMNAMGLLOXTR
SCHEMBL9504669 0.85 MGLL (0.38) MEN1KMT2ALMNAMGLLOXTR
SCHEMBL10677822 0.84 MGLL (0.43) MEN1KMT2ALMNAMGLLOXTR
SCHEMBL28741494 0.83 MEN1 (0.38) MEN1KMT2ALMNAMGLLOXTR
SCHEMBL29633776 0.81 MEN1 (0.36) MEN1KMT2ALMNAMGLLOXTR
SCHEMBL28741471 0.81 TPH1 (0.41) MEN1KMT2ALMNAOPRM1
SCHEMBL22454537 0.81 NPC1 (0.41) MEN1KMT2ALMNAOXTRAVPR1A

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