SCHEMBL31160508

SCHEMBL31160508

N#CC(=CC1CC1)C(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
BTK Q06187 2/20 0.38
EGFR P00533 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NEK2 P51955 1/20 0.34

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
SCHEMBL13978156 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL13978443 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL31160501 0.82 CACNA2D1 (0.43) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL16907829 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL20240589 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL23466689 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL24481259 0.81 EGFR (0.38) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL20327081 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL24243326 0.79 BTK (0.37) ALDH1A1KDM4EL3MBTL1BTKEGFR
SCHEMBL31160458 0.79 EGFR (0.38) ALDH1A1KDM4EL3MBTL1BTKEGFR

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-119019389-B 7-Azaindole compound and synthetic method and application thereof SICHUAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119019389-A 7-Azaindole compound and synthetic method and application thereof 四川大学 2024-11-26 CN disclosed