SCHEMBL7769549

SCHEMBL7769549

CC(CC(c1ccc(NS(C)(=O)=O)cc1)c1ccc(NS(C)(=O)=O)cc1)C(N)[C@@H](O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.52
ADRB1 P08588 8/20 0.52
ADRB3 P13945 8/20 0.52
NPC1 O15118 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PGR P06401 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.41
BLM P54132 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7770332 0.83 MAPT (0.54) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL7770327 0.83 MAPT (0.54) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL7772527 0.83 SMN1; SMN2 (0.47) ADRB1ADRB3NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL7768569 0.83 NPC1 (0.46) ADRB1ADRB3NPC1RAB9ASMN1; SMN2
SCHEMBL7768353 0.82 RAB9A (0.50) NPC1HPGDRAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7769434 0.79 RAB9A (0.50) ADRB1ADRB3NPC1HPGDRAB9A
SCHEMBL6322046 0.78 ADRB3 (0.63) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL6322039 0.78 ADRB3 (0.63) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL6321975 0.73 LMNA (0.51) ADRB2ADRB1ADRB3NPC1AR
SCHEMBL7769550 0.72 PGR (0.45) ADRB2ADRB1ADRB3NPC1AR

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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed