SCHEMBL8183402

SCHEMBL8183402

CC#CCOc1nsnc1O[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.37
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
CHRM2 P08172 2/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8197788 0.76 CHRM1 (0.41) CHRM1PDGFRBPDGFRA
SCHEMBL8196017 0.76 CHRM1 (0.36) CHRM1PDGFRBPDGFRA
SCHEMBL7819670 0.75 CHRM1 (0.58) CHRM1CHRM2
SCHEMBL7885725 0.72 CHRM1 (0.61) CHRM1
SCHEMBL8191951 0.71 CHRM1 (0.44) CHRM1
SCHEMBL8196587 0.70 ALDH1A1 (0.40) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL8198118 0.69 PDGFRB (0.34) PDGFRBPDGFRA
SCHEMBL8191689 0.69 CHRM1 (0.40) CHRM1PDGFRBPDGFRA
SCHEMBL8193676 0.69 CHRM1 (0.33) CHRM1PDGFRBPDGFRAPDE4APDE4B
SCHEMBL8196015 0.67 MEN1 (0.32) CHRM1

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-6124312-A ACTIVE DRUG FOR TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-09-26 US claimed