SCHEMBL30299398

SCHEMBL30299398

NC1=NC(N)(c2ccc(N3CCC(CN4CCCC4)CC3)c(F)c2)NN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
OPRK1 P41145 3/20 0.34
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MELK Q14680 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
KCNH2 Q12809 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
OPRD1 P41143 1/20 0.31
AXL P30530 2/20 0.30
FFAR4 Q5NUL3 1/20 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
SCHEMBL30299387 0.94 OPRM1 (0.31) OPRM1OPRL1OPRK1CASP1CASP4
SCHEMBL30299303 0.92 CYP17A1 (0.36) OPRM1OPRL1OPRK1CASP1CASP4
SCHEMBL29929683 0.85 AXL (0.40) ALDH1A1SMN1; SMN2AXL
SCHEMBL30299377 0.84 PDE3B (0.34) ALDH1A1SMN1; SMN2
SCHEMBL29928123 0.84 AXL (0.39) ALDH1A1SMN1; SMN2AXL
SCHEMBL30299345 0.82 AXL (0.38) ALDH1A1SMN1; SMN2AXL
SCHEMBL30090537 0.81 TNIK (0.36) KCNH2
SCHEMBL30299369 0.81 AXL (0.37) ALDH1A1SMN1; SMN2AXL
SCHEMBL30299336 0.80 JAK2 (0.35) CASP1ALDH1A1SMN1; SMN2
SCHEMBL30299381 0.80 IP6K1 (0.32)

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-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed