SCHEMBL6469548

SCHEMBL6469548

CC(N)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.60
▸ HTR2A P28223 6/20 0.60
▸ HTR1A P08908 6/20 0.60
▸ HTR2B P41595 5/20 0.60
▸ CYP2D6 P10635 3/20 0.60
▸ NFKB1 P19838 3/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ HTR1D P28221 3/20 0.60
▸ HTR1B P28222 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ NPSR1 Q6W5P4 4/20 0.50
▸ BLM P54132 2/20 0.50
▸ TSHR P16473 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KMT2A Q03164 2/20 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
SCHEMBL8205708 0.90 HTR2C (0.57) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL6516528 0.86 HTR2C (0.55) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL29414816 0.86 HTR2C (0.55) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL7159098 0.84 HTR2C (0.54) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL7640404 0.83 HTR2C (0.67) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL6978983 0.80 HTR2C (0.54) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL38656762 0.80 HTR2C (0.50) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL14631312 0.79 SRC (0.51) HTR2CHTR2AHTR1AHTR2BCYP1A2
SCHEMBL1667862 0.79 NPSR1 (0.59) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL2494144 0.79 HTR2C (0.52) HTR2CHTR2AHTR1AHTR2BCYP2D6

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-2005058199-A1 ELECTROSTATICALLY SELF-ASSEMBLED ANTIMICROBIAL COATING FOR MEDICAL APPLICATIONS AVERY DENNISON CORPORATION (US) 2005-06-30 — — WO disclosed
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