SCHEMBL8418703

SCHEMBL8418703

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.31
MC4R P32245 2/20 0.31

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
Acetic Acid SCHEMBL8418146 0.96 ADRA1D (0.39) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL12312782 0.78 CCR2 (0.42) ADRA1DADRA1AADRA1BL3MBTL1MC4R
SCHEMBL8402001 0.77 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL8402249 0.77 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL8402002 0.77 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL17621809 0.76 ITGB2 (0.33)
SCHEMBL12337286 0.76 CCR2 (0.41) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL13907982 0.76 ADRA1D (0.40) ADRA1DADRA1AADRA1BL3MBTL1LMNA
SCHEMBL28044432 0.76 HRH3 (0.31)
SCHEMBL7766973 0.75 SMN1; SMN2 (0.30)

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-5886181-A ASYMMETRIC HYDROGENATION OF THE CORRESPONDING 1,4,5,6-TETRAHYDROPYRAZINES LONZA, LTD. (CH) 1999-03-23 US disclosed