SCHEMBL19980668

SCHEMBL19980668

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CC3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
NPY5R Q15761 4/20 0.39
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HRH2 P25021 1/20 0.35
PLK1 P53350 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL30265918 1.00 DRD2 (0.39) DRD2NPY5ROPRM1OPRK1OPRL1
SCHEMBL21141077 1.00 DRD2 (0.39) DRD2NPY5ROPRM1OPRK1OPRL1
SCHEMBL30265699 1.00 DRD2 (0.39) DRD2NPY5ROPRM1OPRK1OPRL1
SCHEMBL19980545 0.95 DRD3 (0.39) DRD2NPY5R
SCHEMBL30265747 0.95 DRD3 (0.39) DRD2NPY5R
SCHEMBL30265904 0.94 NPY5R (0.41) NPY5RLMNATP53
SCHEMBL19980698 0.94 NPY5R (0.41) NPY5RLMNATP53
SCHEMBL19972513 0.91 HTR2A (0.40) DRD2NPY5ROPRM1OPRK1OPRL1
SCHEMBL19980669 0.91 HTR2A (0.40) DRD2NPY5ROPRM1OPRK1OPRL1
SCHEMBL19972578 0.91 OPRM1 (0.38) NPY5ROPRM1OPRK1OPRL1MEN1

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 3 patents. 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
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed