SCHEMBL8879792

SCHEMBL8879792

CNC(=O)COc1ccc(CC(C)NCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
RAB9A P51151 1/20 0.51
ADRB2 P07550 7/20 0.49
ADRB3 P13945 7/20 0.49
ADRB1 P08588 6/20 0.49
ACACB O00763 4/20 0.46
CYP2D6 P10635 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL8879230 0.85 ADRB2 (0.59) SLC6A4RAB9AADRB2ADRB3ADRB1
Hydrochloric Acid SCHEMBL10508646 0.83 ACACB (0.47) ADRB2ADRB3ADRB1ACACB
SCHEMBL8882337 0.80 SIGMAR1 (0.59) SLC6A4ADRB2ADRB3ADRB1ACACB
SCHEMBL8879908 0.79 SLC6A4 (0.51) SLC6A4ACACB
SCHEMBL11245796 0.78 ADRB3 (0.65) ADRB2ADRB3ADRB1CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10861241 0.78 SLC6A4 (0.50) SLC6A4ACACB
SCHEMBL8881084 0.77 SLC2A1 (0.59) SLC6A4ADRB2ADRB3ADRB1ACACB
SCHEMBL13290618 0.77 KMT2A (0.59) RAB9A
SCHEMBL10860224 0.77 ADRB3 (0.52) ADRB2ADRB3ADRB1CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10859952 0.76 ADRB3 (0.52) ADRB2ADRB3ADRB1CYP2D6ADRA1D

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 4 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
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed