SCHEMBL8435487

SCHEMBL8435487

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cnc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNB1 P11230 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNB3 Q05901 1/20 0.52
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
GPR119 Q8TDV5 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5AP P20292 3/20 0.46
FEN1 P39748 1/20 0.46
POLB P06746 1/20 0.46
CHEK2 O96017 1/20 0.44
OPRD1 P41143 1/20 0.43
F2RL3 Q96RI0 4/20 0.42

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
SCHEMBL27936838 0.83 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL938055 0.83 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL938053 0.83 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL6585428 0.82 EP300 (0.48) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6584883 0.82 EP300 (0.48) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6584627 0.81 CHRNB4 (0.56) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6583117 0.81 CHRNB4 (0.56) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL7827305 0.81 ALOX5AP (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6620281 0.81 ALOX5AP (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7371666 0.80 CHRNB2 (0.60) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed