SCHEMBL28588320

SCHEMBL28588320

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 9/20 0.48
▸ DRD4 P21917 4/20 0.46
▸ SSTR5 P35346 1/20 0.40
▸ F10 P00742 3/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL28598763 0.92 SLC6A5 (0.49) SLC6A5DRD4SSTR5F10TEAD1
SCHEMBL21822299 0.91 DRD4 (0.50) SLC6A5DRD4F10TEAD1DRD2
SCHEMBL21822512 0.91 DRD4 (0.50) SLC6A5DRD4F10TEAD1DRD2
SCHEMBL21822147 0.85 CCR9 (0.45) SLC6A5DRD4F10TEAD1DRD2
SCHEMBL21822290 0.84 DRD4 (0.51) SLC6A5DRD4F10TEAD1DRD2
SCHEMBL28579689 0.84 DRD4 (0.46) SLC6A5DRD4F10HTTF2
SCHEMBL21822925 0.78 CCR9 (0.49) SLC6A5DRD4F10TEAD1
SCHEMBL21822510 0.78 F10 (0.47) SLC6A5DRD4F10F2PRSS1
SCHEMBL28572149 0.77 F10 (0.45) DRD4F10F2PRSS1
SCHEMBL28572148 0.77 F10 (0.45) DRD4F10F2PRSS1

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
Send feedback