SCHEMBL6544656

SCHEMBL6544656

NCCCP(=O)(O)CCO

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.64
GABBR1 Q9UBS5 3/20 0.64
GABRR1 P24046 1/20 0.64
LMNA P02545 2/20 0.56
BLM P54132 2/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
PMP22 Q01453 1/20 0.56
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
THPO P40225 1/20 0.52
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6544636 0.90 GABBR2 (0.64) GABBR2GABBR1GABRR1LMNABLM
SCHEMBL6544152 0.88 GABBR2 (0.61) GABBR2GABBR1GABRR1LMNABLM
SCHEMBL341290 0.82
SCHEMBL2832674 0.81
Methylamine SCHEMBL5140853 0.78 PPARD (0.44) GABBR2GABBR1GABRR1LMNABLM
SCHEMBL2353617 0.78 GABBR2 (0.83) GABBR2GABBR1GABRR1LMNABLM
Sgs-742 SCHEMBL195133 0.78 GABBR2 (1.00) GABBR2GABBR1GABRR1LMNABLM
SCHEMBL6351264 0.76 GABBR2 (0.87) GABBR2GABBR1GABRR1LMNABLM
Sgs-742 SCHEMBL6024389 0.76 GABBR2 (0.95) GABBR2GABBR1GABRR1LMNABLM
SCHEMBL7645156 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372620-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS Saegis Pharmaceuticals (US) 2004-01-02 EP claimed
WO-2002074293-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS SAEGIS PHARMACEUTICALS INC (US) 2002-09-26 WO claimed