SCHEMBL28579689

SCHEMBL28579689

CCOC(=N)c1ccc2cc(C(=O)NC3CCN(C(=O)CCN)CC3)n(Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.46
▸ F10 P00742 6/20 0.43
▸ SLC6A5 Q9Y345 5/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39

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
SCHEMBL21822334 0.90 DRD4 (0.49) DRD4F10SLC6A5EPHX2F2
SCHEMBL28598763 0.88 SLC6A5 (0.49) DRD4F10SLC6A5F2PRSS1
SCHEMBL28588320 0.84 SLC6A5 (0.48) DRD4F10SLC6A5F2PRSS1
SCHEMBL28588235 0.80 SMN1; SMN2 (0.46) F10F2PRSS1MAPTHTT
SCHEMBL28572148 0.79 F10 (0.45) DRD4F10F2PRSS1ST14
SCHEMBL28572149 0.79 F10 (0.45) DRD4F10F2PRSS1ST14
SCHEMBL28573728 0.79 F2 (0.50) F10F2PRSS1ST14MAPT
SCHEMBL28573604 0.79 SMYD3 (0.47) DRD4F10F2PRSS1ST14
SCHEMBL28573606 0.79 SMYD3 (0.47) DRD4F10F2PRSS1ST14
SCHEMBL28573730 0.79 F2 (0.50) F10F2PRSS1ST14MAPT

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
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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