SCHEMBL11669647

SCHEMBL11669647

CC(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 10/20 0.73
▸ ADRB2 P07550 9/20 0.73
▸ LMNA P02545 3/20 0.73
▸ TSHR P16473 3/20 0.73
▸ ADRA1A P35348 2/20 0.73
▸ RECQL P46063 1/20 0.73
▸ ADRB3 P13945 4/20 0.55
▸ SIGMAR1 Q99720 4/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ SLC6A4 P31645 3/20 0.55
▸ HTR2B P41595 3/20 0.55
▸ NR2E1 Q9Y466 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTR2A P28223 3/20 0.55
▸ HTR2C P28335 3/20 0.55
▸ HTR6 P50406 3/20 0.55
▸ SCN1A P35498 2/20 0.55
▸ SLC10A1 Q14973 2/20 0.55
▸ SCN2A Q99250 2/20 0.55

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
SCHEMBL11669644 1.00 ADRB1 (0.73) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11669093 1.00 ADRB1 (0.73) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11514678 1.00 ADRB1 (0.73) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11669100 1.00 ADRB1 (0.73) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11700816 0.90 ADRB1 (0.60) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL13148927 0.88 TSHR (0.76) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11515097 0.86 ADRB1 (0.55) ADRB1ADRB2LMNATSHRADRA1A
R-Nadolol SCHEMBL4960286 0.86 ADRB2 (0.75) ADRB1ADRB2LMNATSHRADRA1A
R-Nadolol SCHEMBL3737246 0.85 ADRB2 (0.74) ADRB1ADRB2LMNATSHRADRA1A
SCHEMBL11511939 0.85 ADRB1 (0.54) ADRB1ADRB2LMNATSHRADRA1A

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-4029676-A ANTIADRENERGIC, ANTIFIBRILLATORY E. R. SQUIBB & SONS, INC. (US) 1977-06-14 — — US disclosed
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