SCHEMBL8057960

SCHEMBL8057960

O=C(N1CC2CCNCCC(C2)C1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.75
CHRM1 P11229 20/20 0.75
CHRM3 P20309 20/20 0.75

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
SCHEMBL6636981 0.89 CHRM2 (0.78) CHRM2CHRM1CHRM3
SCHEMBL6635154 0.89 CHRM2 (0.78) CHRM2CHRM1CHRM3
SCHEMBL8062579 0.89 CHRM2 (0.78) CHRM2CHRM1CHRM3
SCHEMBL6633471 0.84 CHRM2 (0.70) CHRM2CHRM1CHRM3
SCHEMBL6636822 0.84 CHRM2 (0.72) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL8057811 0.83 CHRM2 (0.71) CHRM2CHRM1CHRM3
SCHEMBL6634524 0.82 CHRM2 (0.84) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL8044867 0.81 CHRM2 (0.82) CHRM2CHRM1CHRM3
SCHEMBL6639287 0.81 CHRM2 (0.78) CHRM2CHRM1CHRM3
SCHEMBL6636377 0.81 CHRM2 (0.69) CHRM2CHRM1CHRM3

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-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US claimed