SCHEMBL4779938

SCHEMBL4779938

CC(O)C(Oc1cccc2[nH]c3ccccc3c12)C(C)CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.51
DNM1 Q05193 2/20 0.51
ADRB3 P13945 5/20 0.43
TLR4 O00206 4/20 0.43
DRD2 P14416 3/20 0.43
ADRB1 P08588 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
KCNK2 O95069 1/20 0.43
ABCB11 O95342 1/20 0.43
APP P05067 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GAA P10253 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
SCHEMBL4608341 0.76 ADRB2 (0.53) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL29180924 0.76 ADRB2 (0.45) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL9621537 0.75 ADRB2 (0.55) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL5694608 0.75 ADRB2 (0.67) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL6074582 0.75 ADRB2 (0.67) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL7134118 0.74 ADRB2 (0.70) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL1733165 0.74 KMT2A (0.54) ADRB2DNM1ADRB3TLR4ADRB1
SCHEMBL6507182 0.74 ADRB2 (0.54) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL4727264 0.73 ADRB2 (0.50) ADRB2DNM1ADRB3TLR4DRD2
SCHEMBL4457452 0.73 ADRB2 (0.53) ADRB2DNM1ADRB3TLR4DRD2

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
WO-2008021552-A9 BIASED LIGANDS AND METHODS OF IDENTIFYING SAME UNIV DUKE (US) 2008-05-29 WO claimed
WO-2008021552-A2 BIASED LIGANDS AND METHODS OF IDENTIFYING SAME DUKE UNIVERSITY (US) 2008-02-21 WO claimed