SCHEMBL19980685

SCHEMBL19980685

CC(C)N(C(=O)c1cc(F)ccc1-n1cc(C2CN(CCC3CCCCC3)C2)c2ccncc21)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
RORC P51449 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 2/20 0.32
MC4R P32245 1/20 0.32

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
SCHEMBL19972686 0.92 KDM4C (0.36) KDM4CNFATC1GSK3BDYRK1ARORC
SCHEMBL19972688 0.92 KDM4C (0.36) KDM4CNFATC1GSK3BDYRK1ARORC
SCHEMBL23515871 0.92 KDM4C (0.36) KDM4CNFATC1GSK3BDYRK1ARORC
SCHEMBL31001728 0.90 KDM4C (0.35) KDM4COPRM1NFATC1GSK3BDYRK1A
SCHEMBL19972484 0.90 KDM4C (0.38) KDM4CMEN1KMT2A
SCHEMBL19972486 0.90 KDM4C (0.38) KDM4CMEN1KMT2A
SCHEMBL26036581 0.89 RORC (0.34) KDM4COPRM1OPRK1OPRL1RORC
SCHEMBL30524044 0.89 MEN1 (0.45) KDM4CMEN1KMT2A
SCHEMBL19972521 0.89 MEN1 (0.45) KDM4CMEN1KMT2A
SCHEMBL19972524 0.89 MEN1 (0.45) KDM4CMEN1KMT2A

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