SCHEMBL7410480

SCHEMBL7410480

NC(=O)c1ccc(OCCNCC(O)Cc2ccc(O)c3c2[nH]c2ccccc23)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.43
ADRB1 P08588 5/20 0.43
ADRB3 P13945 4/20 0.43
OPRM1 P35372 5/20 0.42
OPRK1 P41145 5/20 0.42
DRD2 P14416 3/20 0.42
TLR4 O00206 2/20 0.42
MAPT P10636 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 1/20 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

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
SCHEMBL7409152 0.88 ADRB2 (0.42) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7410151 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7411916 0.81 ADRB2 (0.63) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7413321 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7412052 0.79 ADRB2 (0.48) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7410117 0.79 ADRB2 (0.51) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7411213 0.79 ADRB2 (0.53) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7410486 0.79 ADRB2 (0.54) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7407189 0.78 ADRB2 (0.49) ADRB2ADRB1ADRB3OPRM1OPRK1
SCHEMBL7416746 0.77 ADRB2 (0.44) ADRB2ADRB1ADRB3OPRM1OPRK1

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