SCHEMBL8443136

SCHEMBL8443136

OCCCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
IDO1 P14902 2/20 0.54
NOTUM Q6P988 4/20 0.52
TRPV1 Q8NER1 3/20 0.49
PYCR1 P32322 1/20 0.46
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDR P35968 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL5722021 0.89 TRPV1 (0.58) GPR84IDO1NOTUMTRPV1PYCR1
SCHEMBL584598 0.86 DAO (0.50) GPR84IDO1NOTUMTRPV1IGF1R
SCHEMBL18235653 0.84 PLA2G7 (0.46) GPR84IDO1NOTUMTRPV1
SCHEMBL15784840 0.83 GPR84 (0.42) GPR84IDO1NOTUMTRPV1IGF1R
SCHEMBL11707484 0.83 GPR84 (0.55) GPR84IDO1NOTUMTRPV1PYCR1
SCHEMBL3532064 0.82 GLA (0.42) GPR84NOTUMIGF1RALOX15S1PR1
SCHEMBL29556319 0.82 IDO1 (0.61) GPR84IDO1NOTUMTRPV1PYCR1
SCHEMBL932893 0.82 IDO1 (0.61) GPR84IDO1NOTUMTRPV1PYCR1
SCHEMBL3532812 0.81 SLC6A2 (0.42) GPR84IDO1NOTUMTRPV1IGF1R
SCHEMBL81056 0.81 NR3C2 (0.47) GPR84

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-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
US-5821370-A MUSCARINIC CHOLINERGIC DRUGS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5821371-A 1,2,5-THIADIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE ELI LILLY AND COMANY (US) 1998-10-13 US disclosed
US-5672709-A INTERMEDIATES FOR DRUGS USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-30 US 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-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