SCHEMBL30823602

SCHEMBL30823602

CCCOC(=O)NCCON

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.57
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5700191 0.83 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17655687 0.82 ACHE (0.50) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12590855 0.82 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13703484 0.82 ACHE (0.58) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3902756 0.82 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
Ammonia Solution, Strong SCHEMBL28282442 0.81 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7564851 0.81 ACHE (0.76) ACHE
Hydrochloric Acid SCHEMBL27825731 0.81 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14094998 0.80 ACHE (0.57) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13741976 0.80 ACHE (0.57) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118843480-A Polymer-supported 8-sulfonyl-benzazepine compounds and uses thereof 博尔特生物治疗药物有限公司 2024-10-25 CN disclosed
CN-118843481-A Antibody conjugated 8-sulfonyl-benzazepine compounds and uses thereof 博尔特生物治疗药物有限公司 2024-10-25 CN disclosed
CN-117940168-A 2-Amino-4-carboxamide-benzazepine immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2024-04-26 CN disclosed