SCHEMBL7017829

SCHEMBL7017829

O=C(Nc1ccc2c(c1)C1CCCN1CC2)Oc1ccc2scnc2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 13/20 0.42
CHRM1 P11229 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 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
SCHEMBL7099787 0.81 CHRNA7 (0.45) CNR1CNR2
SCHEMBL7013326 0.75 CNR1 (0.42) CNR1CNR2
SCHEMBL7555526 0.72 CNR1 (0.51) CNR1CNR2
SCHEMBL8206314 0.71 CNR1 (0.45) CNR1CNR2
Hydrochloric Acid SCHEMBL8214654 0.70 CNR1 (0.44) CNR1CNR2
SCHEMBL15881111 0.69 HSD11B1 (0.53)
SCHEMBL8218668 0.68 NPC1 (0.59)
SCHEMBL7519048 0.68 CHRNA7 (0.50) CNR1CNR2
Hydrochloric Acid SCHEMBL8216489 0.67 NPC1 (0.58)
SCHEMBL8221080 0.67 MAPT (0.54)

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-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed