SCHEMBL5035238

SCHEMBL5035238

O=C(NN1CCCCCC1)Oc1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.45
CNR1 P21554 17/20 0.39
CNR2 P34972 11/20 0.39

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
SCHEMBL5035268 0.91 LIPE (0.47) LIPECNR1CNR2
SCHEMBL5032559 0.84 CNR1 (0.48) CNR1CNR2
SCHEMBL5034926 0.83 LIPE (0.46) LIPECNR1CNR2
SCHEMBL5039110 0.82 CYP3A4 (0.42)
SCHEMBL5036060 0.81 CYP3A4 (0.43)
SCHEMBL5041330 0.79 CYP3A4 (0.44) CNR1
SCHEMBL5034899 0.78 NLRP3 (0.38)
SCHEMBL5039137 0.77 POLB (0.40) LIPE
SCHEMBL5032567 0.77 CYP3A4 (0.49) CNR1CNR2
SCHEMBL5032552 0.76 NPC1 (0.45) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed