SCHEMBL7305798

SCHEMBL7305798

N#C[C@H]1CC[C@H](c2ccc(N)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
ESR2 Q92731 5/20 0.35
POLB P06746 1/20 0.33
PGR P06401 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
DGAT1 O75907 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL7298806 1.00 SLC18A3 (0.40) SLC18A3ESR2POLBPGRDDB1
SCHEMBL30909 0.83 ESR2 (0.41) ESR2POLBALDH1A1ESR1CYP3A4
SCHEMBL900534 0.82 SLC18A3 (0.50) SLC18A3ESR2POLBDDB1CRBN
SCHEMBL1128088 0.82 SLC18A3 (0.50) SLC18A3ESR2POLBDDB1CRBN
SCHEMBL5284 0.82 SLC18A3 (0.50) SLC18A3ESR2POLBDDB1CRBN
SCHEMBL7733708 0.81 KDM4E (0.39) SLC18A3ESR2POLBKDM4EALDH1A1
SCHEMBL7733705 0.81 KDM4E (0.39) SLC18A3ESR2POLBKDM4EALDH1A1
Cyanide SCHEMBL27748394 0.81 SLC18A3 (0.46) SLC18A3ESR2POLBDDB1CRBN
Hydrochloric Acid SCHEMBL20543303 0.80 SLC18A3 (0.48) SLC18A3ESR2POLBDDB1CRBN
SCHEMBL11623457 0.80 ESR2 (0.59) ESR2ESR1CYP3A4CYP2C9

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-0657440-B1 Oxazolidine-2-one derivatives as MAO inhibitors HOFFMANN LA ROCHE (CH) 2000-04-05 EP disclosed
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
EP-0657440-A1 Oxazolidine-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed