SCHEMBL11242572

SCHEMBL11242572

CC(C)(C)NCC(O)COc1ccc(OCCOCC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ ADRB1 P08588 5/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ADRB2 P07550 4/20 0.57
▸ GAA P10253 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ ADRB3 P13945 2/20 0.54
▸ EPHX2 P34913 1/20 0.53

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
SCHEMBL22486710 0.90 ADRB1 (0.74) HTTADRB1CYP2D6LMNAMEN1
SCHEMBL11246808 0.89 CYP2D6 (0.65) HTTADRB1CYP2D6LMNAMEN1
SCHEMBL11143700 0.88 HTT (0.50) HTTADRB1CYP2D6LMNAMEN1
Cicloprolol SCHEMBL9681296 0.84 ADRB1 (0.80) ADRB1CYP2D6LMNAMEN1CYP1A2
Cicloprolol SCHEMBL9680771 0.84 ADRB1 (0.80) ADRB1CYP2D6LMNAMEN1CYP1A2
Cicloprolol SCHEMBL634972 0.84 ADRB1 (0.80) ADRB1CYP2D6LMNAMEN1CYP1A2
Cicloprolol SCHEMBL613271 0.83 LMNA (0.81) ADRB1CYP2D6LMNAMEN1CYP1A2
Cicloprolol SCHEMBL22734881 0.83 LMNA (0.81) ADRB1CYP2D6LMNAMEN1CYP1A2
Cicloprolol SCHEMBL613272 0.82 ADRB1 (0.77) ADRB1CYP2D6LMNAMEN1CYP1A2
SCHEMBL3457917 0.81 ADRB1 (0.71) ADRB1CYP2D6LMNAMEN1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 — — US claimed
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 — — US disclosed
US-4252984-A 1-/P-/2-/CYCLOPROPYLMETHOXY/ETHYL/PHENOXY/-3-ISOPROPYLAMINO-2 -PROPANOL SYNTHELABO (FR) 1981-02-24 — — US disclosed
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