SCHEMBL11557902

SCHEMBL11557902

C=CCc1cc(CCOC)ccc1OCC(O)CNC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.64
▸ ADRB1 P08588 9/20 0.64
▸ LMNA P02545 3/20 0.64
▸ ADRA1A P35348 3/20 0.64
▸ CYP2D6 P10635 3/20 0.64
▸ HTR1A P08908 2/20 0.64
▸ SLC6A4 P31645 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ ADRB3 P13945 1/20 0.64
▸ ADRA2C P18825 1/20 0.64
▸ SLC6A2 P23975 1/20 0.64
▸ BDKRB2 P30411 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ PMP22 Q01453 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ NR3C1 P04150 1/20 0.60

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
SCHEMBL11507481 0.94 ADRB2 (0.61) ADRB2ADRB1LMNAADRA1ACYP2D6
SCHEMBL11506652 0.87 ADRB2 (0.65) ADRB2ADRB1ADRA1ACYP2D6PMP22
SCHEMBL11506632 0.86 ADRB2 (0.63) ADRB2ADRB1ADRA1ACYP2D6PMP22
SCHEMBL11847324 0.85 ADRB2 (0.64) ADRB2ADRB1LMNAADRA1ACYP2D6
SCHEMBL11507196 0.81 ADRB2 (0.66) ADRB2ADRB1ADRA1ACYP2D6ADRB3
SCHEMBL2615170 0.81 ADRB2 (0.66) ADRB2ADRB1ADRA1ACYP2D6ADRB3
SCHEMBL11506733 0.81 ADRB2 (0.66) ADRB2ADRB1ADRA1ACYP2D6ADRB3
SCHEMBL21793229 0.79 ALDH1A1 (0.77) ADRB2ADRB1LMNAADRA1ACYP2D6
SCHEMBL30001190 0.79 ALDH1A1 (0.77) ADRB2ADRB1LMNAADRA1ACYP2D6
Alprenolol SCHEMBL34636 0.78 ADRB2 (1.00) ADRB2ADRB1LMNAADRA1ACYP2D6

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
US-4145442-A ADRENERGIC STIMULANTS; ANTAGONIST, ANTAGONISM AKTIEBOLAGET HASSLE (SE) 1979-03-20 — — US disclosed
US-3996382-A Phenoxy-hydroxypropylamines, their preparation, and method and pharmaceutical preparations for treating cardiovascular diseases AKTIEBOLAGET HASSLE (SW) 1976-12-07 — — US disclosed
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