SCHEMBL8685279

SCHEMBL8685279

O=C(NCc1ccccc1)N1[C@@H]2CCC[C@H]1CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
USP2 O75604 1/20 0.62
HRH3 Q9Y5N1 3/20 0.62
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
F2 P00734 2/20 0.54
PRSS1 P07477 1/20 0.54
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
AGTR2 P50052 1/20 0.51
EPHX1 P07099 1/20 0.50

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
SCHEMBL22917280 0.77 AGTR2 (0.68) GAAMEN1KMT2AMAPK1ALDH1A1
SCHEMBL23032061 0.77 AGTR2 (0.68) GAAMEN1KMT2AMAPK1ALDH1A1
SCHEMBL18829414 0.77 ALDH1A1 (1.00) GAAALDH1A1HPGDUSP2NPSR1
SCHEMBL14529027 0.74 HRH3 (0.80) MEN1KMT2AALDH1A1HRH3NPSR1
SCHEMBL6244724 0.73 ALDH1A1 (0.93) GAAALDH1A1HPGDUSP2NPSR1
SCHEMBL5800630 0.73 KDM4E (0.69) MEN1KMT2AALDH1A1HRH3NPSR1
SCHEMBL4197501 0.73 KDM4E (0.69) MEN1KMT2AALDH1A1HRH3NPSR1
SCHEMBL12300145 0.73 SMN1; SMN2 (0.71) ALDH1A1HPGDUSP2SMN1; SMN2F2
SCHEMBL2469546 0.73 ALDH1A1 (0.86) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL29675228 0.73 ALDH1A1 (0.86) MEN1KMT2AMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712284-A Azalicyclooctane derivatives as anti-arrhythmic agents SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-01-27 US disclosed
EP-0710236-A1 AZALICYCLOOCTANE DERIVATIVES AS ANTI-ARRHYTHMIC AGENTS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-05-08 EP disclosed
WO-1995003301-A1 AZALICYCLOOCTANE DERIVATIVES AS ANTI-ARRHYTHMIC AGENTS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-02-02 WO disclosed
EP-0416521-A1 N-Benzyltropaneamides G.D. Searle & Co. (US) 1991-03-13 EP disclosed