SCHEMBL24330081

SCHEMBL24330081

Cn1cc(C2CCN(C(=O)OC(C)(C)C)C2)c2cc(F)cnc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ RORC P51449 1/20 0.40

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
SCHEMBL17495521 0.82 SCN9A (0.49) SCN9APIK3CDALOX5APFEN1HPGDS
SCHEMBL19404833 0.78 SMN1; SMN2 (0.50) HPGDSPOLBSMN1; SMN2PDE4BKDM4E
SCHEMBL23791316 0.77 HSD11B1 (0.52) ALOX5APFEN1HPGDSPOLBSMN1; SMN2
SCHEMBL24330045 0.76 GPR119 (0.45) SCN9A
SCHEMBL27510527 0.75 DRD2 (0.58) SCN9ASMN1; SMN2BRD3KDM4EMAPT
SCHEMBL2283420 0.74 PDE4B (0.51) HPGDSPOLBSMN1; SMN2PDE4BKDM4E
SCHEMBL19404832 0.74 TRPV3 (0.52) ALOX5APFEN1HPGDSPOLBSMN1; SMN2
SCHEMBL25431429 0.74 PIK3CD (0.43) PIK3CDALOX5APFEN1HPGDSPOLB
SCHEMBL31208015 0.74 PIK3CD (0.43) PIK3CDALOX5APFEN1HPGDSPOLB
SCHEMBL23625716 0.74 SRC (0.44) SCN9AALOX5APFEN1HPGDSPOLB

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
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 — — WO disclosed
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