SCHEMBL26005204

SCHEMBL26005204

CSN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4C(=O)N(C)C(C)C)c4cnccc34)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
SLC6A4 P31645 2/20 0.35
HRH2 P25021 2/20 0.34
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL25135025 0.92 OPRM1 (0.41) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL21084744 0.91 DRD2 (0.36) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL19972626 0.91 HTR2A (0.38) DRD2SLC6A4HTR2ADRD3
SCHEMBL30524098 0.91 HTR2A (0.38) DRD2SLC6A4HTR2ADRD3
SCHEMBL30524087 0.90 DRD2 (0.35) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL19972430 0.90 DRD2 (0.35) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL19972628 0.90 HRH2 (0.37) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL19972630 0.90 HRH2 (0.37) DRD2SLC6A4HRH2HTR2ADRD3
SCHEMBL31001678 0.90 HTR1A (0.37) DRD2SLC6A4
SCHEMBL19972525 0.90 HTR1A (0.37) DRD2SLC6A4

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