SCHEMBL31411883

SCHEMBL31411883

O=C(N[C@@H]1C[C@@H]1F)c1ccon1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
PDE4B Q07343 7/20 0.37
PDE4D Q08499 7/20 0.37
PDE4C Q08493 5/20 0.37
PDE4A P27815 4/20 0.37
AR P10275 1/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31411804 0.83 CHRNA4 (0.40) CHRNA4CHRNB2CHRNA7SMN1; SMN2
SCHEMBL31411872 0.83 CHRNA4 (0.40) CHRNA4CHRNB2CHRNA7SMN1; SMN2
SCHEMBL14108403 0.78 MLLT1 (0.47) CHRNA4CHRNB2CHRNA7SMN1; SMN2
Hydrochloric Acid SCHEMBL28847292 0.77 MLLT1 (0.46) CHRNA4CHRNB2CHRNA7SMN1; SMN2
SCHEMBL30436829 0.75 GABRA1 (0.39) CHRNA4CHRNB2CHRNA7EPHX2GAA
SCHEMBL30424616 0.74 NPC1 (0.56) SMN1; SMN2
SCHEMBL27028220 0.73 CNR2 (0.47) CHRNA4CHRNB2CHRNA7SMN1; SMN2
SCHEMBL289997 0.71
SCHEMBL31411850 0.71 CD38 (0.43) CHRNA4CHRNB2CHRNA7SMN1; SMN2
SCHEMBL3367312 0.71 NPC1 (0.43) CHRNA4CHRNB2CHRNA7GAASMN1; SMN2

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
EP-4139287-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP claimed