SCHEMBL8314920

SCHEMBL8314920

COC(=O)N1CC2C=CC1C(O)C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL20216325 0.83 TSHR (0.47) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15308950 0.81 TSHR (0.41) TSHRCHRNB2CHRNA4
SCHEMBL16504401 0.81 TSHR (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14720464 0.81 TSHR (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14720709 0.80 TSHR (0.40) TSHRCHRNB2CHRNA4
SCHEMBL17359421 0.80 TSHR (0.40) TSHRCHRNB2CHRNA4
SCHEMBL17359419 0.80 TSHR (0.40) TSHRCHRNB2CHRNA4
SCHEMBL8319536 0.79
SCHEMBL17359420 0.78 TSHR (0.39) TSHRCHRNB2CHRNA4
SCHEMBL19630896 0.77 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
WO-1999019921-A1 MIXTURES WITH Li-CONTAINING SOLIDS SUITABLE AS SOLID ELECTROLYTES OR SEPARATORS FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-04-22 WO disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
US-5646289-A REACTING A 3-CHLORO-1,2,5-THIADIAZOLE WITH ALKALI METAL BIS(TRIALKYL OR ARYLSILYL)AMIDE; DECHLORINATION; TREATING NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed