SCHEMBL28583333

SCHEMBL28583333

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc3ccc(C#N)cc3n2Cc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 3/20 0.50
▸ F10 P00742 3/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ CNR1 P21554 6/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ BTK Q06187 1/20 0.39
▸ CCR3 P51677 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
SCHEMBL28583332 1.00 CCR9 (0.50) CCR9F10SCN9ADRD2CNR1
SCHEMBL30180776 1.00 CCR9 (0.50) CCR9F10SCN9ADRD2CNR1
SCHEMBL30180499 0.92 CCR9 (0.46) CCR9F10SCN9ADRD2CNR1
SCHEMBL28582087 0.91 CCR9 (0.48) CCR9F10DRD2CNR1
SCHEMBL28582088 0.91 CCR9 (0.48) CCR9F10DRD2CNR1
SCHEMBL28573653 0.90 CCR9 (0.54) CCR9F10DRD2CNR1KMT2A
SCHEMBL28573651 0.90 CCR9 (0.54) CCR9F10DRD2CNR1KMT2A
SCHEMBL31689641 0.90 CCR9 (0.54) CCR9F10DRD2CNR1KMT2A
SCHEMBL28588267 0.88 ST14 (0.47) CCR9F10SCN9ACCR3
SCHEMBL28588265 0.88 ST14 (0.47) CCR9F10SCN9ACCR3

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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