SCHEMBL3457917

SCHEMBL3457917

CC(C)(I)NCC(O)COc1ccc(CCOCC2CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ ADRB2 P07550 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ TMEM97 Q5BJF2 1/20 0.70
▸ SIGMAR1 Q99720 1/20 0.70
▸ CASR P41180 1/20 0.49

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 0.91 ADRB1 (0.74) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL23530 0.83 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL4997902 0.83 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Levobetaxolol SCHEMBL23532 0.83 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL23531 0.83 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL6512495 0.83 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL42794 0.82 LMNA (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL26664826 0.82 ADRB1 (0.98) ADRB1LMNACYP2D6MEN1CYP1A2
Levobetaxolol SCHEMBL42795 0.82 LMNA (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL26664823 0.82 ADRB1 (0.98) ADRB1LMNACYP2D6MEN1CYP1A2

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-2010029566-A2 PROCESS FOR PREPARATION OF PHENOXYPROPANOL AMINES INDOCO REMEDIES LIMITED (IN) 2010-03-18 — — WO disclosed
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