SCHEMBL8081439

SCHEMBL8081439

CCCCOc1nsnc1OCCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.53
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR8 Q9NR97 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8319258 0.83 CHRM1 (0.45) CHRM1ABCB11LMNACYP1A2CYP2D6
SCHEMBL8081404 0.83 CHRM1 (0.45) CHRM1ALDH1A1
SCHEMBL7851759 0.74 CHRM1 (0.51) CHRM1HRH3
SCHEMBL8445621 0.71 CHRM1 (0.49) CHRM1HRH3
SCHEMBL8317848 0.70 CHRM1 (0.56) CHRM1
SCHEMBL8317844 0.70 CHRM1 (0.56) CHRM1
SCHEMBL8442739 0.69 CHRM1 (0.49) CHRM1HRH3
SCHEMBL8779466 0.69 CHRM1 (0.46) CHRM1HRH3
SCHEMBL6912925 0.69 CHRM1 (1.00) CHRM1
SCHEMBL7847876 0.68 CHRM1 (0.50) CHRM1HRH3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000501384-A 2000-02-08 JP claimed
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US claimed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP claimed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP claimed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US claimed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO claimed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO claimed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP claimed
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
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
US-5929247-A METHODS OF SYNTHESIZING 1,2,5-THIADIAZOLE COMPOUNDS SUCH AS 3-PROPYLTHIO-4-HYDROXY-1,2,5-THIADIAZOLE, USEFUL IN TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MUSCARINIC CHOLINERGIC SYSTEM MALFUNCTIONING ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5852037-A Method for treating anxiety ELI LILLY AND COMPANY (US) 1998-12-22 US 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