SCHEMBL26005471

SCHEMBL26005471

CN1CC2(CCC(c3cn(-c4ccc(F)cc4C=O)c4cnccc34)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.37
HTR1B P28222 2/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 1/20 0.33
SLC6A4 P31645 2/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL26006720 0.85 DRD2 (0.36) DRD2HTR1BHTR6KDM4EALDH1A1
SCHEMBL25135242 0.83 KCNH2 (0.42) DRD2HTR1BHTR6SLC6A4HTR1A
SCHEMBL19980679 0.83 PTGDR2 (0.35) DRD2HTR1BHTR6KDM4EALDH1A1
SCHEMBL19972468 0.82 DRD2 (0.34) DRD2HTR1BHTR6DYRK1A
SCHEMBL30266001 0.82 DRD2 (0.34) DRD2HTR1BHTR6DYRK1A
SCHEMBL25135361 0.80 KDM4E (0.33) DRD2KDM4EALDH1A1
SCHEMBL26004878 0.78 DRD2 (0.37) DRD2HTR1BSLC6A4HTR1A
SCHEMBL19980726 0.78 HTR6 (0.39) DRD2HTR6
SCHEMBL19972493 0.78 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL31001668 0.78 SMN1; SMN2 (0.47) ALDH1A1

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