SCHEMBL9265349

SCHEMBL9265349

CN1C2CCC1[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9265344 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA7CHRNA4CHRM2
SCHEMBL9462280 0.78 SLC6A3 (0.41) CHRNB2CHRNA3CHRNA7CHRNA4CHRM2
SCHEMBL9256443 0.78 SLC6A3 (0.41) CHRNB2CHRNA3CHRNA7CHRNA4CHRM2
SCHEMBL9263259 0.76 SLC6A3 (0.44) CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL9263264 0.76 SLC6A3 (0.44) CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL9462238 0.75 SLC6A4 (0.53)
SCHEMBL9462242 0.75 SLC6A4 (0.53)
SCHEMBL851669 0.69 PPM1D (0.30)
SCHEMBL29367912 0.69 TDP1 (0.50) LMNACYP2C9
SCHEMBL5397645 0.69 SLC6A3 (0.40) LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391744-A Enhanced analgesic and vasoconstrictive properties MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1995-02-21 US disclosed
US-5268480-A Containing an aromatic ester MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1993-12-07 US disclosed