SCHEMBL8402249

SCHEMBL8402249

CC(C)(C)NC(=O)[C@H]1CN(C(=O)O)CCN1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.37
MC4R P32245 9/20 0.34
MC5R P33032 6/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MC3R P41968 2/20 0.32
MC1R Q01726 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8402002 1.00 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL8402001 1.00 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL13907982 0.86 ADRA1D (0.40) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL7275829 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1KMT2A
SCHEMBL7367963 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1KMT2A
SCHEMBL13732366 0.82 SCN9A (0.37) LMNAPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL12312782 0.79 CCR2 (0.42) ADRA1DADRA1AADRA1BL3MBTL1MC4R
SCHEMBL8418703 0.77 ADRA1D (0.40) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL12337286 0.77 CCR2 (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
Acetic Acid SCHEMBL8418146 0.77 ADRA1D (0.39) ADRA1DADRA1AADRA1BL3MBTL1LMNA

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
US-5856485-A RESOLUTION OF AN ENANTIOMORPH MIXTURE LONZA AG (CH) 1999-01-05 US disclosed