SCHEMBL7409971

SCHEMBL7409971

O=C(OCc1ccccc1)c1ncccc1OCC1CCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CHRNA3 P32297 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41

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
SCHEMBL8465383 1.00 POLB (0.45) POLBCHRNB2CHRNA4L3MBTL1TSHR
SCHEMBL2835796 0.81 POLB (0.57) POLBL3MBTL1TSHRCASP3RAB9A
SCHEMBL25370578 0.73 PPIA (0.60) POLBL3MBTL1TSHRCASP3RAB9A
SCHEMBL19808952 0.72 TDP1 (0.59) POLBL3MBTL1TSHRCASP3RAB9A
SCHEMBL7409579 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL28041139 0.71 POLB (0.57) POLBL3MBTL1TSHRCASP3RAB9A
SCHEMBL20201222 0.71 POLB (0.57) POLBL3MBTL1TSHRCASP3RAB9A
SCHEMBL28566933 0.71 POLB (0.65) POLBL3MBTL1TSHRCASP3RAB9A
Hydrochloric Acid SCHEMBL1238402 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL1238398 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB4

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
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed