SCHEMBL7130731

SCHEMBL7130731

CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNCCCOc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.79
ADRB1 P08588 12/20 0.79
ADRB2 P07550 7/20 0.79
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR65 Q8IYL9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL7555241 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL7139311 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL7139466 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL7561184 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL6987303 0.82 ADRB3 (0.83) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL7090768 0.79 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMAPT
SCHEMBL6987946 0.75 GHSR (0.56) ADRB3ADRB1ADRB2
SCHEMBL7138238 0.75 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL14593657 0.74 EPHX1 (0.67) KMT2A
SCHEMBL14593707 0.74 EPHX1 (0.67) KMT2A

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-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed