SCHEMBL28580755

SCHEMBL28580755

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc3ccc(C#N)cc3n2Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.43
▸ CCR9 P51686 2/20 0.43
▸ CNR1 P21554 9/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ CCR2 P41597 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL28580754 1.00 F10 (0.43) F10CCR9CNR1DRD2CCR2
SCHEMBL30180480 1.00 F10 (0.43) F10CCR9CNR1DRD2CCR2
SCHEMBL28575217 0.92 CCR9 (0.49) F10CCR9CNR1DRD2CCR2
SCHEMBL30180434 0.92 CCR9 (0.49) F10CCR9CNR1DRD2CCR2
SCHEMBL28575216 0.92 CCR9 (0.49) F10CCR9CNR1DRD2CCR2
SCHEMBL28573701 0.89 CNR1 (0.45) F10CCR9CNR1DRD2BRD4
SCHEMBL28573702 0.89 CNR1 (0.45) F10CCR9CNR1DRD2BRD4
SCHEMBL28583296 0.88 CCR9 (0.45) F10CCR9CNR1DRD2CCR2
SCHEMBL30180702 0.88 CCR9 (0.45) F10CCR9CNR1DRD2CCR2
SCHEMBL28583299 0.88 CCR9 (0.45) F10CCR9CNR1DRD2CCR2

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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