SCHEMBL9825901

SCHEMBL9825901

CCOCCOc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8880963 0.92 CHRM2 (0.32) ACACBCHRM2HTR1ADRD3HTR2B
SCHEMBL8881673 0.90 ADRB1 (0.33) ACACBCHRM2HTR1ADRD3HTR2B
SCHEMBL8880028 0.89 ADRB1 (0.33) CHRM2HTR1ADRD3HTR2BHRH3
SCHEMBL8881216 0.88 HRH3 (0.35) ACACBHRH3PPARGPPARAMEN1
SCHEMBL8880830 0.88 LTA4H (0.39) ACACBHRH3
SCHEMBL8880353 0.88 MEN1 (0.32) CHRM2HTR1ADRD3HTR2BHRH3
SCHEMBL8880923 0.87 MEN1 (0.40) CHRM2HTR1ADRD3HTR2BMEN1
SCHEMBL8880116 0.86 ADRB2 (0.36) PPARGPPARA
SCHEMBL8880142 0.85 PPARG (0.33) CHRM2HTR1ADRD3HTR2BHRH3
Hydrochloric Acid SCHEMBL8880970 0.85 ADRB2 (0.35) PPARGPPARA

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
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed