SCHEMBL8711504

SCHEMBL8711504

O=C(O)C(F)=C1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
RBP4 P02753 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL8711500 1.00 CHRNB2 (0.47) CHRNB2CHRNA4THRBHTTCHRNB4
Hydrochloric Acid SCHEMBL2417313 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL2417312 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8714147 0.75 MAPT (0.38) CHRNB2CHRNA4THRBHTTCHRM1
SCHEMBL8714145 0.75 MAPT (0.38) CHRNB2CHRNA4THRBHTTCHRM1
SCHEMBL7082506 0.73 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7082504 0.73 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18878447 0.69 CHRNB2 (0.50) CHRNB2CHRNA4THRBHTTCHRNB4
SCHEMBL8714628 0.68 CHRNB2 (0.42) CHRNB2CHRNA4THRBHTT
SCHEMBL16684577 0.65 CHRNB2 (0.47) CHRNB2CHRNA4THRBHTTCHRNB4

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-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed