SCHEMBL9267967

SCHEMBL9267967

COc1ccc2[nH]c(C)c(C(C)(C)CN)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.62
▸ HTR6 P50406 3/20 0.62
▸ HTR1A P08908 2/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR1E P28566 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ MAPT P10636 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ GFER P55789 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MCL1 Q07820 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ AKR1C2 P52895 1/20 0.49
▸ MTNR1A P48039 2/20 0.47
▸ MTNR1B P49286 2/20 0.47

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
SCHEMBL11488805 0.84 HTR6 (0.58) HTR1DHTR6HTR1AHTR7SLC6A2
SCHEMBL9262224 0.79 HTR6 (0.50) HTR1DHTR6HTR7ALDH1A1MAPT
SCHEMBL4244966 0.77 HTR1D (1.00) HTR1DHTR6HTR1AHTR7SLC6A2
SCHEMBL5116957 0.76 AKR1C2 (0.58) HTR1DHTR6HTR1AHTR7SLC6A2
Hydrochloric Acid SCHEMBL7433474 0.75 HTR1D (0.97) HTR1DHTR6HTR1AHTR7SLC6A2
SCHEMBL4241023 0.75 AHR (0.48) HTR6ALDH1A1KDM4EMAPTMEN1
SCHEMBL9263297 0.74 HTR6 (0.66) HTR1DHTR6HTR1AHTR7SLC6A2
SCHEMBL8578417 0.74 AKR1C2 (0.55) HTR1DHTR6HTR1AHTR7SLC6A2
Cyanide SCHEMBL28561862 0.73 HTR1D (0.92) HTR1DHTR6HTR1AHTR7SLC6A2
SCHEMBL7806663 0.73 HTR1D (0.82) HTR1DHTR6HTR1AHTR7SLC6A2

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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