SCHEMBL31411804

SCHEMBL31411804

O=C(N[C@H]1C[C@H](F)C1)c1ccon1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 2/20 0.37
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
GRM5 P41594 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL31411872 1.00 CHRNA4 (0.40) CHRNA4CHRNB2CHRNA7NPC1RAB9A
SCHEMBL14108403 0.83 MLLT1 (0.47) CHRNA4CHRNB2CHRNA7NPC1RAB9A
SCHEMBL31411883 0.83 CHRNA4 (0.40) CHRNA4CHRNB2CHRNA7SMN1; SMN2
Hydrochloric Acid SCHEMBL28847292 0.82 MLLT1 (0.46) CHRNA4CHRNB2CHRNA7NPC1RAB9A
SCHEMBL25213670 0.81 NPC1 (0.54) NPC1RAB9ATDP1TSHRSMN1; SMN2
SCHEMBL30436829 0.80 GABRA1 (0.39) CHRNA4CHRNB2CHRNA7NPC1RAB9A
SCHEMBL30424616 0.79 NPC1 (0.56) NPC1RAB9ATDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL693291 0.76 SMYD3 (0.59) CHRNA4NPC1RAB9AS1PR1
SCHEMBL3367312 0.76 NPC1 (0.43) CHRNA4CHRNB2CHRNA7NPC1RAB9A
SCHEMBL31411850 0.76 CD38 (0.43) CHRNA4CHRNB2CHRNA7NPC1RAB9A

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