SCHEMBL3620901

SCHEMBL3620901

C[C@H](Cc1cccc(C(=O)OCc2ccccc2)c1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(NC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR1I2 O75469 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL3620900 1.00 ADRB1 (0.41) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL5135381 1.00 ADRB1 (0.41) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL13807457 0.90 ADRB2 (0.35) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3714998 0.89 ADRB2 (0.36) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3714996 0.89 ADRB2 (0.36) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3627413 0.88 RAB9A (0.36) ADRB1SLC6A3CYP2D6HTR1ASLC6A2
SCHEMBL3627411 0.88 RAB9A (0.36) ADRB1SLC6A3CYP2D6HTR1ASLC6A2
SCHEMBL4386734 0.82 MRGPRX4 (0.40) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL4386737 0.82 MRGPRX4 (0.40) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3628398 0.82 ADRB2 (0.47) ADRB1CYP3A4USP2SLC6A4ADRA1A

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-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed