SCHEMBL5445388

SCHEMBL5445388

C[C@H](Cc1cccc(CC(=O)NCc2cc(-c3ccccc3)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NC=O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.67
ADRB1 P08588 5/20 0.53
ADRB3 P13945 3/20 0.53
DRD2 P14416 2/20 0.53
PGR P06401 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL3619351 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3619343 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3619355 0.90 ADRB2 (0.64) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3619347 0.90 ADRB2 (0.64) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3626542 0.88 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3626539 0.88 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3621486 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3621479 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3625140 0.85 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL3625135 0.85 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2PGR

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
JP-2007530524-A 2007-11-01 JP claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO claimed