SCHEMBL4185327

SCHEMBL4185327

O=C(NCC1CCC1)c1cc(F)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.73
CNR2 P34972 9/20 0.73
NPC1 O15118 3/20 0.57
ALDH1A1 P00352 2/20 0.57
BCHE P06276 1/20 0.51
HDAC2 Q92769 1/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GFER P55789 1/20 0.48
PPARG P37231 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL4190849 0.97 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4194677 0.88 CNR1 (0.73) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5314765 0.84 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5224040 0.84 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4190780 0.84 CNR1 (1.00) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4194303 0.83 CNR1 (0.90) CNR1CNR2NPC1ALDH1A1RAB9A
SCHEMBL5220662 0.82 CNR1 (0.74) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5224036 0.82 CNR1 (0.74) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4191810 0.81 CNR1 (0.73) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5236434 0.81 CNR1 (0.94) CNR1CNR2NPC1ALDH1A1BCHE

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