SCHEMBL8879768

SCHEMBL8879768

COC(=O)/C=C(\C)c1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.30
TACR3 P29371 2/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
TACR1 P25103 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
SCHEMBL8879769 1.00 TACR2 (0.30) TACR2TACR3CHRM2HTR1ADRD3
SCHEMBL8882083 0.89 SLC5A7 (0.34)
SCHEMBL8882085 0.89 SLC5A7 (0.34)
SCHEMBL8880178 0.89 LMNA (0.35) TACR2TACR3CHRM2HTR1ADRD3
SCHEMBL10590242 0.84 TACR2 (0.31) TACR2TACR3TACR1
SCHEMBL10766966 0.84 DRD2 (0.37) DRD3
SCHEMBL8880380 0.83
SCHEMBL9826701 0.83 DRD2 (0.32) TACR2TACR3DRD3TACR1
SCHEMBL8880246 0.83 ALOX5AP (0.36) CHRM2HTR1ADRD3HTR2B
SCHEMBL8880923 0.83 MEN1 (0.40) CHRM2HTR1ADRD3HTR2B

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 3 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-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed