SCHEMBL9352602

SCHEMBL9352602

NC(=O)C1CC(C(=O)O)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.74
ALOX15 P16050 3/20 0.74
CYP1A2 P05177 3/20 0.74
LMNA P02545 2/20 0.74
BLM P54132 2/20 0.74
CYP2C19 P33261 2/20 0.74
TSHR P16473 1/20 0.74
RAB9A P51151 1/20 0.74
MEN1 O00255 1/20 0.74
THRB P10828 1/20 0.74
PMP22 Q01453 1/20 0.74
KMT2A Q03164 1/20 0.74
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GLI1 P08151 1/20 0.37
GABRR1 P24046 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL9352608 1.00 CYP2D6 (0.74) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL9352591 1.00 CYP2D6 (0.74) CYP2D6ALOX15CYP1A2LMNABLM
Ethane SCHEMBL6051635 0.95 CYP2D6 (0.67) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL9352353 0.89 CYP2D6 (0.53) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL9352345 0.89 CYP2D6 (0.53) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL1321720 0.86 ALOX15 (1.00) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL179769 0.86 ALOX15 (1.00) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL179767 0.86 ALOX15 (1.00) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL6745739 0.86 ALOX15 (1.00) CYP2D6ALOX15CYP1A2LMNABLM
SCHEMBL179768 0.86 ALOX15 (1.00) CYP2D6ALOX15CYP1A2LMNABLM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP disclosed
US-4990504-A Modulate excitatory amino acid receptor system FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-02-05 US disclosed
US-4946839-A ALZHEIMER'S DISEASE FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1990-08-07 US disclosed
EP-0299513-A1 Azetidine derivatives, compositions and their use FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1989-01-18 EP disclosed