SCHEMBL4198495

SCHEMBL4198495

O=C(NCC1CCCCC1)c1cc(Cl)ccc1NC(=O)c1nccc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.75
CNR2 P34972 13/20 0.75
CCR3 P51677 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX7 Q99572 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
SCHEMBL4190780 0.85 CNR1 (1.00) CNR1CNR2CCR3NPC1
SCHEMBL4194303 0.80 CNR1 (0.90) CNR1CNR2NPC1
SCHEMBL4195914 0.80 CNR1 (0.69) CNR1CNR2NPC1POLBTSHR
SCHEMBL27684178 0.80 CNR1 (0.72) CNR1CNR2NPC1POLBTSHR
SCHEMBL4188684 0.80 CNR1 (0.72) CNR1CNR2NPC1POLBTSHR
SCHEMBL4204619 0.80 CNR2 (0.66) CNR1CNR2NPC1
SCHEMBL4193303 0.80 CNR1 (0.75) CNR1CNR2P2RX7
SCHEMBL4196590 0.79 CNR2 (0.66) CNR1CNR2NPC1POLBTSHR
SCHEMBL4198267 0.79 CNR2 (0.79) CNR1CNR2NPC1
SCHEMBL4193009 0.78 CNR2 (0.69) CNR1CNR2CCR3NPC1POLB

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