SCHEMBL25154682

SCHEMBL25154682

CC(=O)N1C[C@H](CC(=O)O)N(C(C)=O)[C@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA5 P08648 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
SCHEMBL25154428 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154697 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154768 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154764 0.83 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154426 0.83 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154680 0.83 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154430 0.83 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154772 0.83 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154417 0.83 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25154660 0.83 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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
WO-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed