SCHEMBL8880923

SCHEMBL8880923

COc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.37
CHRM3 P20309 1/20 0.36
DRD3 P35462 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2B P41595 1/20 0.35
DRD4 P21917 6/20 0.33
BACE1 P56817 1/20 0.33
CYP2D6 P10635 2/20 0.33
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.32
GSK3B P49841 1/20 0.31

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 0.90 CHRM2 (0.32) MEN1KMT2ADRD3CHRM2HTR1A
SCHEMBL8882664 0.89 CHRM2 (0.36) DRD3CHRM2HTR1AHTR2B
SCHEMBL8881673 0.89 ADRB1 (0.33) MEN1KMT2APOLBDRD3CHRM2
SCHEMBL8880246 0.87 ALOX5AP (0.36) MEN1KMT2ACHRM3DRD3CHRM2
SCHEMBL9825901 0.87 ACACB (0.32) MEN1KMT2ADRD3CHRM2HTR1A
SCHEMBL8880028 0.87 ADRB1 (0.33) DRD3CHRM2HTR1AHTR2B
SCHEMBL8880142 0.87 PPARG (0.33) CHRM3DRD3CHRM2HTR1AHTR2B
SCHEMBL8880178 0.87 LMNA (0.35) MEN1KMT2APOLBCHRM3DRD3
SCHEMBL8881999 0.86 PIK3CA (0.35) CHRM3DRD3CHRM2HTR1AHTR2B
SCHEMBL8880830 0.86 LTA4H (0.39) KCNH2

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