SCHEMBL25154698

SCHEMBL25154698

CC(=O)N1[C@H](CC(=O)O)CN(C)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL25154764 1.00 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154680 1.00 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154426 1.00 SMN1; SMN2 (0.31) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154768 0.83 CHRNB2 (0.36) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154682 0.83 CHRNB2 (0.36) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154428 0.83 CHRNB2 (0.36) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154697 0.83 CHRNB2 (0.36) SMN1; SMN2BRD4ITGB1ITGA5
SCHEMBL25154415 0.80 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL25154630 0.80 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL25154421 0.80 SMN1; SMN2 (0.32) SMN1; SMN2

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