SCHEMBL13823366

SCHEMBL13823366

CC(Cc1ccc(OCCC2CC3CCCC(C3)C2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.66
ADRB1 P08588 17/20 0.55
CHRM3 P20309 1/20 0.49
ADRB3 P13945 4/20 0.48

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
SCHEMBL2749047 0.85 ADRB2 (0.68) ADRB2ADRB1CHRM3ADRB3
Carmoterol SCHEMBL617717 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL10494565 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL13619222 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL10494358 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL465645 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL5990417 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL11912044 0.80 ADRB2 (1.00) ADRB2ADRB1
Carmoterol SCHEMBL10494473 0.79 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL594076 0.79 ADRB2 (0.98) ADRB2ADRB1

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
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed