SCHEMBL29923937

SCHEMBL29923937

COc1cc(N2CCN(C)C(=O)C2)c2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.57
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL24915959 0.79 LRRK2 (0.45) HTR1A
SCHEMBL3555203 0.78 HTR2A (0.62) HTR1A
SCHEMBL13437110 0.75 HTR1A (0.56) HTR1A
SCHEMBL3924932 0.74 HTR1A (0.58) HTR1AALDH1A1
SCHEMBL3556367 0.73 HTR1A (0.77) HTR1A
SCHEMBL3557770 0.73 HTR1A (1.00) HTR1A
SCHEMBL3559471 0.72 HTR1A (1.00) HTR1A
SCHEMBL24916404 0.72 HTR1A (0.37) HTR1AKMT2A
SCHEMBL3564313 0.71 HTR1A (1.00) HTR1A
SCHEMBL3563964 0.71 HTR1A (1.00) HTR1A

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed