SCHEMBL6792263

SCHEMBL6792263

CN(C)C(=O)CC[C@H](CSc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.33
KIF11 P52732 1/20 0.32
ACKR3 P25106 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGER1 P34995 1/20 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
SCHEMBL6792267 1.00 MTNR1A (0.38) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL6790851 0.78 SMN1; SMN2 (0.43) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL6790854 0.78 SMN1; SMN2 (0.43) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL18554251 0.77 MME (0.41) ALDH1A1FFAR1
SCHEMBL13681413 0.74 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6794137 0.73 LMNA (0.46) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL2943414 0.73 MTNR1A (0.47) MTNR1AMTNR1BMAOAMAOBL3MBTL1
SCHEMBL2943420 0.73 MTNR1A (0.47) MTNR1AMTNR1BMAOAMAOBL3MBTL1
SCHEMBL6987291 0.72 MTNR1A (0.42) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL13503674 0.72 MTNR1A (0.46) MTNR1AMTNR1BMAOAMAOBALDH1A1

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-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed