SCHEMBL8881673

SCHEMBL8881673

CC(Cc1ccc(OCCO)cc1)N1CCOC(c2csc(C(F)(F)F)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
POLB P06746 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL8880353 0.94 MEN1 (0.32) ADRB1ADRB3CHRM2HTR1ADRD3
SCHEMBL8880963 0.92 CHRM2 (0.32) CHRM2HTR1ADRD3HTR2BMEN1
SCHEMBL8880028 0.90 ADRB1 (0.33) ADRB1ADRB3CHRM2HTR1ADRD3
SCHEMBL9825901 0.90 ACACB (0.32) CHRM2HTR1ADRD3HTR2BPPARG
SCHEMBL8880830 0.89 LTA4H (0.39) HRH3ACACB
SCHEMBL8880923 0.89 MEN1 (0.40) CHRM2HTR1ADRD3HTR2BMEN1
SCHEMBL8880142 0.88 PPARG (0.33) ADRB1ADRB3CHRM2HTR1ADRD3
SCHEMBL8879419 0.88 HRH3 (0.36) ADRB1ADRB3PPARGPPARAMEN1
SCHEMBL8881426 0.88 PPARG (0.35) ADRB1ADRB3PPARGPPARAMEN1
SCHEMBL8881999 0.88 PIK3CA (0.35) ADRB1ADRB3CHRM2HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604225-A DIETETICS; OBESITY DR. KARL THOMAE GMBH (DE) 1997-02-18 US disclosed
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
US-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
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
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US 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