SCHEMBL20108601

SCHEMBL20108601

Cc1nc(Nc2cc(Cl)c(-c3ccc(OCCN4CCOCC4)cc3)c(Cl)c2)n[nH]1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
SRC P12931 1/20 0.51
NPC1 O15118 1/20 0.49
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
ACHE P22303 2/20 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
SCHEMBL17402903 0.89
SCHEMBL16014354 0.85
SCHEMBL20108707 0.83
SCHEMBL17394038 0.72 ACHE (0.52) CNR1CNR2GPR55NPC1ACHE
SCHEMBL17402901 0.71
SCHEMBL16025364 0.70 KDM4E (0.48) CNR1CNR2GPR55NPC1ACHE
SCHEMBL17402894 0.70
SCHEMBL4839489 0.69 TBK1 (0.60) CNR1CNR2GPR55SRCNPC1
SCHEMBL13605352 0.69 KDR (0.54) CNR1CNR2SRCNPC1ACHE
SCHEMBL17394234 0.68 KDM4E (0.47) CNR1CNR2GPR55NPC1IKBKE

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-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed