SCHEMBL6245241

SCHEMBL6245241

COc1c(C(O)C[N+](C)(C)CCc2ccccc2C)ccc(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 6/20 0.34
▸ ADRB2 P07550 5/20 0.34
▸ ALOX5 P09917 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DAO P14920 1/20 0.30

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
SCHEMBL6259212 0.73 ADRB2 (0.57) ADRB1ADRB2
SCHEMBL6248506 0.68 ADRA2A (0.30) ADRB2
SCHEMBL28535211 0.66 ADRA2A (0.62) ADRB1ADRB2MEN1MAPTKMT2A
SCHEMBL9768276 0.64 ADRA2A (0.44) ADRB1ADRB2
SCHEMBL6259255 0.61 ADRB2 (0.55) ADRB1ADRB2
SCHEMBL6399196 0.60 ADRB3 (0.45) ADRB1ADRB2
SCHEMBL1053291 0.60 TP53 (0.43) MAPT
SCHEMBL28766379 0.59 HTR1A (0.46) ALOX5MAPTKMT2A
SCHEMBL1716142 0.59 TAAR1 (0.52) ADRB1ADRB2MEN1KMT2ATAAR1
SCHEMBL8702920 0.58 TAAR1 (0.56) MEN1MAPTKMT2ATAAR1DAO

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
EP-1551792-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-07-13 — — EP disclosed
WO-2004033412-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 — — WO disclosed
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