SCHEMBL30838459

SCHEMBL30838459

O=C(c1ncco1)C1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
FAAH O00519 15/20 0.47
CHRNA4 P43681 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL20602052 0.75 FAAH (0.61) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3759949 0.74 FAAH (0.56) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL3749168 0.73 FAAH (0.55) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3335026 0.72 CHRNA4 (0.48) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3337016 0.71 CHRNA4 (0.44) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL5174301 0.70 ELANE (0.43) ELANE
SCHEMBL3333856 0.70 CHRNA4 (0.62) FAAHCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3189682 0.70 ELANE (0.43) ELANE
SCHEMBL11234361 0.70 CHRNB2 (0.51) ELANECHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL13475920 0.69 ALDH1A1 (0.43) ELANE

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
CN-117769443-A Fibroblast activation protein inhibitor and use thereof 3B制药有限公司 2024-03-26 CN disclosed