SCHEMBL28578367

SCHEMBL28578367

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc3ccc(C(N)=O)cc3n2-c2cccc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.41
▸ DRD2 P14416 5/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ USP14 P54578 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36

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
SCHEMBL30180569 1.00 F10 (0.41) F10DRD2PARP1USP14KDM1A
SCHEMBL25017935 1.00 F10 (0.41) F10DRD2PARP1USP14KDM1A
SCHEMBL28583330 0.94 F10 (0.38) F10DRD2PARP1USP14KDM1A
SCHEMBL28583328 0.94 F10 (0.38) F10DRD2PARP1USP14KDM1A
SCHEMBL30180745 0.92 F10 (0.37) F10DRD2PARP1USP14KDM1A
SCHEMBL28588823 0.92 F10 (0.37) F10DRD2PARP1USP14KDM1A
SCHEMBL28588827 0.92 F10 (0.37) F10DRD2PARP1USP14KDM1A
SCHEMBL28580784 0.90 F10 (0.36) F10DRD2PARP1USP14KDM1A
SCHEMBL30180691 0.90 F10 (0.36) F10DRD2PARP1USP14KDM1A
SCHEMBL28580786 0.90 F10 (0.36) F10DRD2PARP1USP14KDM1A

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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