SCHEMBL7914014

SCHEMBL7914014

CCOC(=O)C(=CN1CCNCC1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
GLO1 Q04760 1/20 0.43
GAA P10253 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 4/20 0.36
MAPT P10636 6/20 0.36
DHODH Q02127 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLIN1 O60240 1/20 0.36
POLB P06746 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL11233108 0.85 GLO1 (0.38) NPSR1GLO1GAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL28148061 0.82 NPSR1 (0.46) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL10787532 0.79 ALDH1A1 (0.62) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL2648919 0.79 NPSR1 (0.43) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL21986966 0.76 GLO1 (0.56) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL3590883 0.75 HCAR2 (0.38) NPSR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11396128 0.74 SMN1; SMN2 (0.44) GAAALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4629960 0.73 MAPT (0.57) GAAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL15214492 0.72 ALDH1A1 (0.70) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL27834732 0.72 NPSR1 (0.40) NPSR1GLO1GAAALDH1A1MEN1

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-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed