SCHEMBL8775322

SCHEMBL8775322

OC1(c2ccc(-c3ncccn3)cc2)CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.59
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
CHRM3 P20309 2/20 0.59
KMT2A Q03164 1/20 0.58

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
SCHEMBL8775355 0.85 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8775364 0.82 KMT2A (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5065834 0.82 KMT2A (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9271243 0.80 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8775260 0.80 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL1411787 0.79 CHRM2 (0.51) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8777872 0.79 KMT2A (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8775603 0.79 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7761942 0.79 KMT2A (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9430968 0.79 CHRM1 (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598093-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-11-19 EP claimed
EP-0598093-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1994-05-25 EP claimed
WO-1993024486-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-12-09 WO claimed
EP-0598093-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-11-19 EP disclosed
US-5554613-A QUINUCLIDINE DERIVATIVES, QUALENE SYNTHASE INHIBITORS, TREATMENT OF HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS AND FUNGUS INFECTIONS ZENECA LIMITED (GB) 1996-09-10 US disclosed