SCHEMBL28722151

SCHEMBL28722151

CC(C)(C)NCC(O)c1ccc(F)c2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.42
▸ ADRB1 P08588 5/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ BLM P54132 1/20 0.41
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL29593299 1.00 ADRB2 (0.42) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL29593173 1.00 ADRB2 (0.42) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL22864148 1.00 ADRB2 (0.42) ADRB2ADRB1HIF1ACYP2D6NFKB1
Hydrochloric Acid SCHEMBL29593393 0.99 BLM (0.43) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630990 0.87 ADRB2 (0.42) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630966 0.86 ADRB2 (0.43) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL22864262 0.85 ADRB1 (0.41) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630891 0.85 ADRB1 (0.51) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL22864035 0.83 ADRB1 (0.47) ADRB2ADRB1HIF1ANFKB1TSHR
SCHEMBL24630920 0.82 ADRB1 (0.40) ADRB2ADRB1HIF1ACYP2D6NFKB1

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
CN-114340740-A Beta adrenergic agonists and methods of use thereof 库拉森疗法公司 2022-04-12 — — CN disclosed
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