SCHEMBL31008735

SCHEMBL31008735

CN1CC2CC1CN2CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
RAB9A P51151 1/20 0.31
TLR9 Q9NR96 2/20 0.30
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 2/20 0.30

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
SCHEMBL30226481 1.00 HSD11B1 (0.33) HSD11B1APEX1BLMCHRM2CHRM4
SCHEMBL31009117 1.00 HSD11B1 (0.33) HSD11B1APEX1BLMCHRM2CHRM4
SCHEMBL14885224 0.85 APEX1 (0.33) APEX1BLM
SCHEMBL14885178 0.85 APEX1 (0.33) APEX1BLM
SCHEMBL25131301 0.83 CHRM2 (0.35) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL19992910 0.83 HSD11B1 (0.33) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL30965278 0.81 APEX1 (0.33) APEX1BLMRAB9A
SCHEMBL25646827 0.76 HSD11B1 (0.34) HSD11B1
SCHEMBL19143872 0.74
SCHEMBL25646822 0.74 HSD11B1 (0.33) HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN claimed
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN disclosed