SCHEMBL3625629

SCHEMBL3625629

CC(=O)Oc1cccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c(NC=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.36
CASR P41180 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
MAOB P27338 1/20 0.32
ELANE P08246 1/20 0.32
BRD4 O60885 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
BCHE P06276 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3625631 1.00 ADRB2 (0.36) ADRB2CASRSLC6A2SLC6A4SLC6A3
SCHEMBL5580686 0.89 ADRB2 (0.38) ADRB2CASRSLC6A2SLC6A4SLC6A3
SCHEMBL5580683 0.89 ADRB2 (0.38) ADRB2CASRSLC6A2SLC6A4SLC6A3
SCHEMBL13807616 0.87 ADRB2 (0.37) ADRB2CASRADRB1ADRB3ALDH1A1
SCHEMBL3627413 0.87 RAB9A (0.36) ADRB2SLC6A2SLC6A3ADRB1ADRB3
SCHEMBL3627411 0.87 RAB9A (0.36) ADRB2SLC6A2SLC6A3ADRB1ADRB3
SCHEMBL3626476 0.81 ADRB2 (0.44) ADRB2ELANE
SCHEMBL3626479 0.81 ADRB2 (0.44) ADRB2ELANE
SCHEMBL4273560 0.81 ADRB2 (0.51) ADRB2
SCHEMBL4273553 0.81 ADRB2 (0.51) ADRB2

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
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed