SCHEMBL31312552

SCHEMBL31312552

CC(C)(C)c1ccc(Cn2ccc3cc(N)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
F2R P25116 1/20 0.53
PLAU P00749 2/20 0.48
PLG P00747 1/20 0.48
EPHX2 P34913 2/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNQ4 P56696 2/20 0.46
KCNQ5 Q9NR82 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
PRKCI P41743 1/20 0.45
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC11 Q96DB2 1/20 0.41
HDAC10 Q969S8 1/20 0.40
CCR9 P51686 1/20 0.39

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
SCHEMBL3193581 1.00 HTR6 (0.54) HTR6F2RPLAUPLGEPHX2
SCHEMBL31577316 0.86 KCNQ3 (0.55) HTR6PLAUPLGEPHX2KCNQ3
SCHEMBL4943514 0.84 F2R (0.48) HTR6F2RPLAUPLGEPHX2
SCHEMBL4024181 0.83 CCR9 (0.52) F2RPLAUPLGEPHX2KCNQ3
SCHEMBL23902670 0.82 KCNQ3 (0.52) HTR6PLAUPLGKCNQ3KCNQ2
SCHEMBL30241508 0.82 KCNQ3 (0.52) HTR6PLAUPLGKCNQ3KCNQ2
SCHEMBL15601470 0.81 HTR6 (0.49) HTR6PLAUPLGEPHX2KCNQ3
SCHEMBL15712272 0.81 HDAC8 (0.60) HTR6PLAUPLGPRKCIHDAC8
SCHEMBL20680594 0.81 HTR6 (0.58) HTR6PLAUPLGPRKCIHDAC8
SCHEMBL27739288 0.81 HTR6 (0.58) HTR6PLAUPLGPRKCIHDAC8

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
CN-119241507-A Phenyl pyridine quaternary ammonium salt derivative and preparation method and application thereof 山东大学 2025-01-03 CN disclosed