SCHEMBL4190787

SCHEMBL4190787

O=C(NCCC1OCCO1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.65
CNR2 P34972 3/20 0.65
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
PPARG P37231 1/20 0.50
GFER P55789 1/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SERPINE1 P05121 1/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5259884 0.90 CNR1 (0.73) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL5258216 0.87 CNR1 (0.67) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL5258790 0.82 HTT (0.70) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL4194303 0.81 CNR1 (0.90) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL5226089 0.81 CNR1 (0.63) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL5221652 0.80 CNR1 (0.55) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL5261323 0.80 HTT (0.62) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL4200958 0.80 CNR2 (0.62) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL4190780 0.79 CNR1 (1.00) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL4191608 0.78 CNR1 (0.59) CNR1CNR2MEN1RAB9AKMT2A

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