SCHEMBL4709183

SCHEMBL4709183

CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1.CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.95
ADRB1 P08588 18/20 0.95
CHRM2 P08172 1/20 0.81
HTR1A P08908 1/20 0.81
ADRA2A P08913 1/20 0.81
HTR2A P28223 1/20 0.81
SLC6A4 P31645 1/20 0.81
ADRA1A P35348 1/20 0.81
PTGS2 P35354 1/20 0.81
HTR2B P41595 1/20 0.81
SLC6A3 Q01959 1/20 0.81
PDE4D Q08499 1/20 0.81
KCNH2 Q12809 1/20 0.81

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
SCHEMBL153077 0.97 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL29737207 0.97 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL560927 0.97 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL153900 0.97 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL561414 0.97 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL29798972 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL2988139 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL153255 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL152317 0.93 ADRB1 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
Succinic Acid SCHEMBL561453 0.93 ADRB2 (0.91) ADRB2ADRB1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007772-A1 THIAZOLYL-DIHYDROQUINAZOLINES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed