SCHEMBL7416751

SCHEMBL7416751

OC(CNCCOc1ccc(F)cc1)COc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.56
ADRB3 P13945 4/20 0.56
TLR4 O00206 4/20 0.56
DRD2 P14416 3/20 0.56
MAPT P10636 2/20 0.56
ADRB1 P08588 2/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.56
DNM1 Q05193 2/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
KCNK2 O95069 1/20 0.56
ABCB11 O95342 1/20 0.56
APP P05067 1/20 0.56
ABCB1 P08183 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL7413326 0.93 ADRB2 (0.59) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7403484 0.91 ADRB2 (0.63) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7409153 0.88 ADRB2 (0.55) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7417184 0.85 ADRB2 (0.61) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7410154 0.85 ADRB2 (0.61) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7410183 0.85 ADRB2 (0.61) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7409454 0.85 ADRB2 (0.56) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7412337 0.85 ADRB2 (0.66) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL4570569 0.84 ADRB2 (0.78) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL7412053 0.84 ADRB2 (0.60) ADRB2ADRB3TLR4DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed