SCHEMBL9263297

SCHEMBL9263297

COc1ccc2[nH]c(C)c(CC(C)(C)N)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.66
▸ HTR1D P28221 3/20 0.66
▸ HTR1A P08908 2/20 0.59
▸ HTR1E P28566 2/20 0.59
▸ HTR7 P34969 2/20 0.59
▸ HTR5A P47898 2/20 0.59
▸ AKR1C2 P52895 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ MAPT P10636 6/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MTNR1A P48039 2/20 0.53
▸ MTNR1B P49286 2/20 0.53
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ GFER P55789 2/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL9268040 0.82 HSD17B10 (0.56) HTR6HTR1DHTR7ALDH1A1KDM4E
SCHEMBL11374190 0.80 ALDH1A1 (0.78) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL24453687 0.79 HTR6 (0.65) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL4244966 0.79 HTR1D (1.00) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL9257404 0.79 HTR6 (0.57) HTR6HTR1DHTR7SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL7433474 0.78 HTR1D (0.97) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL8555235 0.78 HTR1D (0.76) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL11488806 0.78 HTR6 (0.76) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL11488805 0.78 HTR6 (0.58) HTR6HTR1DHTR1AHTR1EHTR7
SCHEMBL4231080 0.77 HTR1D (0.74) HTR6HTR1DHTR1AHTR1EHTR7

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-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — US disclosed
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