SCHEMBL19980702

SCHEMBL19980702

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC(N(C)CC3CCCCC3)CC2)c2ccncc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
KDM4C Q9H3R0 4/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
USP19 O94966 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
MCHR1 Q99705 1/20 0.32
IDO1 P14902 2/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL19972497 0.93 PIM2 (0.34) KDM4CPTGDR2DPP4DPP9DPP7
SCHEMBL19972679 0.90 KDM4C (0.33) KDM4CPTGDR2IDO1
SCHEMBL21141438 0.90 OPRM1 (0.35) OPRM1OPRK1OPRL1KDM4CPTGDR2
SCHEMBL19980626 0.90 KDM4C (0.31) KDM4CPTGDR2
SCHEMBL19972637 0.90 MEN1 (0.38) KDM4CPTGDR2
SCHEMBL30524112 0.90 MEN1 (0.38) KDM4CPTGDR2
SCHEMBL19972494 0.88 PTGDR2 (0.36) PTGDR2DPP4DPP9DPP7
SCHEMBL19972650 0.88 PTGDR2 (0.36) PTGDR2DPP4DPP9DPP7
SCHEMBL19972663 0.88 PTGDR2 (0.36) PTGDR2DPP4DPP9DPP7
SCHEMBL19980708 0.88 OPRM1 (0.48) OPRM1OPRK1OPRL1KDM4C

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 2 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
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed