SCHEMBL11600086

SCHEMBL11600086

CCN(CC)C(C)Oc1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL9706157 0.92 ADRA2A (0.40) KMT2AMTNR1AMTNR1BADRA2AADRA2B
SCHEMBL9344689 0.76 CA1 (0.56) CA12CA1CA2CA4CA7
SCHEMBL3256317 0.76 MAOB (0.34) ADRA2AADRA2BADRA2CCYP1A2CYP2D6
SCHEMBL10245022 0.76 CA1 (0.44) CA12CA1CA2CA4CA7
SCHEMBL11886646 0.76 CA1 (0.44) CA12CA1CA2CA4CA7
SCHEMBL10429856 0.75 ADRA2A (0.43) CA4MTNR1AMTNR1BADRA2AADRA2B
SCHEMBL17210749 0.74 CA1 (0.59) CA12CA1CA2CA4CA7
SCHEMBL9446669 0.74 HPGD (0.38) KMT2AALDH1A1SLC6A2CYP1A2MEN1
SCHEMBL105697 0.73 CA1 (0.65) CA12CA1CA2CA4CA7
SCHEMBL31433095 0.73 CA1 (0.65) CA12CA1CA2CA4CA7

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-4073917-A Local anesthetics tertiary aminoalkoxyphenyl ethers ASTRA LAKEMEDEL AKTIEBOLAG (SW) 1978-02-14 — — US disclosed
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