SCHEMBL8670851

SCHEMBL8670851

CCC(C#N)(C#N)OCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NAAA Q02083 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL10950234 0.75
SCHEMBL1357307 0.72 CA1 (0.46) LMNACA1CA2CA9IDO1
SCHEMBL2590168 0.71 CA1 (0.44) ATMTAAR1CA1CA2CA9
SCHEMBL8376179 0.71 CA1 (0.47) TAAR1MAOAMAOBCA1CA2
SCHEMBL3157759 0.71 CA1 (0.40) ATMTAAR1OPRM1DRD3CA1
SCHEMBL22728397 0.71 OPRM1 (0.44) ATMTAAR1MAOAMAOBLMNA
SCHEMBL8374954 0.71 CA1 (0.40) ATMTAAR1OPRM1DRD3CA1
SCHEMBL8378726 0.68 CA1 (0.41) ATMTAAR1CA1CA2CA9
SCHEMBL1357308 0.68 TDP1 (0.43) LMNACA1CA2CA9IDO1
SCHEMBL8669946 0.68 RAB9A (0.41) LMNACA1CA2CA9IDO1

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
US-5763465-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed