SCHEMBL9251458

SCHEMBL9251458

Cc1nc(C2CN(C(C)Cc3ccc(OCC(N)=O)cc3)CCO2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
FKBP1A P62942 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRM3 P20309 1/20 0.31
AVPR1B P47901 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC5A7 Q9GZV3 1/20 0.31
SLC5A1 P13866 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL8880885 0.92 ALDH1A1 (0.38) PPARGPPARAHRH3ADRB2ADRB1
SCHEMBL8878894 0.91 MEN1 (0.37) PPARGPPARAHRH3ADRB2ADRB1
SCHEMBL8881191 0.90 MEN1 (0.35) PPARGPPARAHRH3MEN1KMT2A
SCHEMBL8881999 0.88 PIK3CA (0.35) PIK3CAHRH3ADRB2ADRB1ADRB3
SCHEMBL8881426 0.87 PPARG (0.35) PPARGPPARAHRH3ADRB2ADRB1
Hydrochloric Acid SCHEMBL8878558 0.84 ADRB2 (0.33) PPARGPPARAHRH3ADRB2ADRB1
Hydrochloric Acid SCHEMBL8878535 0.84 ADRB2 (0.33) PPARGPPARAHRH3ADRB2ADRB1
SCHEMBL8882099 0.83 HRH3 (0.35) PPARGPPARAHRH3ADRB2ADRB1
SCHEMBL8885231 0.83 TLR8 (0.32) AVPR1B
SCHEMBL9770863 0.83 ADRB2 (0.39) PIK3CAPPARGPPARAHRH3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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