SCHEMBL5226089

SCHEMBL5226089

CN(C)CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.63
CNR2 P34972 1/20 0.63
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 1/20 0.58
PPARG P37231 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RAD52 P43351 2/20 0.52
GFER P55789 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
AOX1 Q06278 1/20 0.47
SERPINE1 P05121 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL4371080 0.84 RAD52 (0.67) PPARGALDH1A1RAD52AOX1HSD17B10
SCHEMBL4190787 0.81 CNR1 (0.65) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4194303 0.80 CNR1 (0.90) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL1308410 0.79 GFER (0.76) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL5258790 0.78 HTT (0.70) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4191608 0.78 CNR1 (0.59) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL5258216 0.78 CNR1 (0.67) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL5259884 0.78 CNR1 (0.73) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4190780 0.77 CNR1 (1.00) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL5261323 0.77 HTT (0.62) CNR1CNR2MEN1KMT2AALDH1A1

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
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed