SCHEMBL8935124

SCHEMBL8935124

O=C(OC1CN2CCC1CC2)c1ccccc1B(O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
CHRNB2 P17787 1/20 0.60
CHRNA4 P43681 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CHRM3 P20309 5/20 0.54
CHRM2 P08172 4/20 0.54
CHRM1 P11229 4/20 0.54

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
Benzoclidine SCHEMBL1542430 0.81 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Benzoclidine SCHEMBL1542330 0.81 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Benzoclidine SCHEMBL342347 0.81 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL14685645 0.75 CHRNA7 (1.00) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL14678608 0.75 CHRNA7 (1.00) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL14678609 0.75 CHRNA7 (1.00) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL11896515 0.74 GLA (0.58) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL372949 0.73 CHRNA7 (1.00) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL373197 0.73 CHRNA7 (1.00) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL372135 0.73 CHRNA7 (1.00) CHRNA7BCHEACHECHRM3CHRM2

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
WO-1996030054-A1 99mTc - LABELLED SEROTONIN RECEPTOR BINDING SUBSTANCES MALLINCKRODT MEDICAL, INC. (US) 1996-10-03 WO disclosed