SCHEMBL26005113

SCHEMBL26005113

CSc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4C(=O)NC(C)C)c4cnccc34)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.36
DRD2 P14416 4/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
SLC6A4 P31645 2/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL19980666 0.88 DRD2 (0.35) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL19980607 0.80 HRH2 (0.40) HRH2
SCHEMBL19972458 0.79 ROCK2 (0.35) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL21084722 0.79 DRD2 (0.35) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL30524119 0.79 ROCK2 (0.35) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL25135023 0.78 DRD2 (0.34) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL19972570 0.76 DRD2 (0.33) HRH2DRD2HTR2CHRH1SLC6A4
SCHEMBL19972545 0.76 HRH2 (0.41) HRH2DRD2HTR2CROCK2
SCHEMBL31001189 0.76 HRH2 (0.40) HRH2DRD2HTR2CHRH1ROCK2
SCHEMBL19972548 0.76 HRH2 (0.40) HRH2DRD2HTR2CHRH1ROCK2

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-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed