SCHEMBL25436133

SCHEMBL25436133

CCCCn1c(C(N)=O)nc2c(C)cccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.60
▸ CNR2 P34972 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CASR P41180 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 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
Carbamic Acid SCHEMBL11050258 0.97 TLR8 (0.57) TLR8CNR2NPC1CNR1CASR
SCHEMBL28377075 0.80 TLR8 (0.62) TLR8CNR2NPC1TSHRSMN1; SMN2
SCHEMBL8016313 0.79 TLR8 (0.67) TLR8CASRTSHRSMN1; SMN2KDM4E
SCHEMBL1942206 0.79 PARP1 (0.45) TLR8PARP1
SCHEMBL27847996 0.76 ALDH1A1 (0.56) TLR8CNR2NPC1TSHRSMN1; SMN2
SCHEMBL28378028 0.76 TLR8 (0.63) TLR8CNR2NPC1TSHRSMN1; SMN2
SCHEMBL16486950 0.75 TLR8 (1.00) TLR8
SCHEMBL28372897 0.75 TLR8 (0.64) TLR8CNR2TSHRSMN1; SMN2
SCHEMBL28373626 0.75 TLR8 (0.64) TLR8CNR2TSHRSMN1; SMN2
SCHEMBL28378368 0.75 TLR8 (0.64) TLR8CNR2TSHRSMN1; 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-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
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