SCHEMBL6901583

SCHEMBL6901583

OC1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
CHRM1 P11229 5/20 0.54
CHRM2 P08172 3/20 0.51
CHRM4 P08173 3/20 0.51
CHRM5 P08912 3/20 0.51
CHRM3 P20309 3/20 0.51

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
SCHEMBL5065834 0.86 KMT2A (0.65) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL8777872 0.86 KMT2A (0.65) KMT2ACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL8685563 0.84 KMT2A (0.68) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL8775364 0.83 KMT2A (0.61) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL8775496 0.81 KMT2A (0.58) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL7758627 0.80 CHRM1 (0.72) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL7760568 0.80 KMT2A (0.57) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL7755543 0.79 KMT2A (0.69) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL9492300 0.79 KMT2A (0.69) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL8775322 0.78 CHRM1 (0.59) KMT2ACHRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569564-B1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-12-29 EP claimed
US-20040102405-A1 Using compounds comprising oligonucleotides targeted to nucleic acid encoding squalene synthase; for diagnosis and treatment of disease associated with expression of squalene synthase; cardiovascular disorders, atherosclerosis ISIS PHARMACEUTICALS INC. 2004-05-27 US disclosed
US-5792777-A SQUALENE SYNTHASE INHIBITORS, USEFUL IN TREATING HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS AND FUNGAL DISEASES ZENECA LIMITED (GB) 1998-08-11 US disclosed
EP-0569564-B1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-12-29 EP disclosed
EP-0569564-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-11-18 EP disclosed
WO-1993009115-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-13 WO disclosed