SCHEMBL8623327

SCHEMBL8623327

OC1(c2ccc(/C=C/c3cccnc3)cc2)CN2CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.68
CHRM2 P08172 2/20 0.68
CHRM4 P08173 2/20 0.68
CHRM5 P08912 2/20 0.68
CHRM3 P20309 2/20 0.68
KMT2A Q03164 1/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 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
SCHEMBL8622192 1.00 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8622195 1.00 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8649491 0.86 KMT2A (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8644761 0.86 KMT2A (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9430906 0.82 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8775260 0.81 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8647579 0.80 KMT2A (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8647576 0.80 KMT2A (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8618446 0.77 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8646167 0.76 KMT2A (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3

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-0674636-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-05-20 EP claimed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed
EP-0674636-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-05-20 EP disclosed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO disclosed