SCHEMBL11089192

SCHEMBL11089192

CC(=O)NCC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PYGL P06737 1/20 0.45
CTRB1 P17538 4/20 0.44
LMNA P02545 1/20 0.43
BACE1 P56817 3/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A11 P48066 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL11028602 1.00 MTNR1A (0.47) MTNR1AMTNR1BPYGLCTRB1LMNA
SCHEMBL11026867 0.97 MTNR1A (0.45) MTNR1AMTNR1BPYGLCTRB1LMNA
SCHEMBL11025403 0.88 PYGL (0.48) MTNR1AMTNR1BPYGLCTRB1
SCHEMBL11030131 0.87 MTNR1A (0.43) MTNR1AMTNR1BCTRB1LMNABACE1
SCHEMBL11028920 0.86 PYGL (0.46) PYGLBACE1NPC1RAB9ASLC6A11
SCHEMBL7434134 0.85 CTRB1 (0.55) MTNR1AMTNR1BPYGLCTRB1LMNA
SCHEMBL7442013 0.85 CTRB1 (0.55) MTNR1AMTNR1BPYGLCTRB1LMNA
SCHEMBL11191376 0.81 ACE (0.56) CTSSCTSK
SCHEMBL11191380 0.81 ACE (0.56) CTSSCTSK
SCHEMBL11023875 0.80 CTSC (0.56) PYGLBACE1NPC1RAB9ASLC6A11

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-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US disclosed