SCHEMBL7412377

SCHEMBL7412377

CC(C)(C)c1ccc(OCCNCC(O)Cc2ccc(O)c3c2[nH]c2ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.42
ADRB1 P08588 4/20 0.42
DRD2 P14416 3/20 0.42
TLR4 O00206 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
APP P05067 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL7403482 0.90 ADRB2 (0.48) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7413321 0.90 ADRB2 (0.48) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7416746 0.88 ADRB2 (0.44) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7409152 0.85 ADRB2 (0.42) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7410178 0.85 ADRB2 (0.49) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7409449 0.85 ADRB2 (0.45) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7410151 0.83 ADRB2 (0.51) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7410117 0.83 ADRB2 (0.51) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7411213 0.83 ADRB2 (0.53) ADRB2ADRB1DRD2TLR4KMT2A
SCHEMBL7411916 0.83 ADRB2 (0.63) ADRB2ADRB1DRD2TLR4KMT2A

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
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed
EP-0004920-B1 DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-08-05 EP disclosed
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed