SCHEMBL14770824

SCHEMBL14770824

CCN[C@@H](CCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.47
GABRR1 P24046 2/20 0.46
FOLH1 Q04609 6/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.38
RIMKLA Q8IXN7 1/20 0.38
SLC6A5 Q9Y345 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSR P00390 1/20 0.34

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
SCHEMBL28312053 1.00 GGT1 (0.47) GGT1GABRR1FOLH1NAALAD2RIMKLA
SCHEMBL20448161 0.88 FOLH1 (0.50) GGT1GABRR1FOLH1SLC6A5CPB2
SCHEMBL31739266 0.88 FOLH1 (0.50) GGT1GABRR1FOLH1SLC6A5CPB2
SCHEMBL2151316 0.86 FOLH1 (0.57) GGT1FOLH1SLC6A5CPB2GSR
Hydrochloric Acid SCHEMBL20482193 0.86 FOLH1 (0.49) GGT1GABRR1FOLH1SLC6A5CPB2
SCHEMBL2151319 0.86 FOLH1 (0.57) GGT1FOLH1SLC6A5CPB2GSR
Ammonia Solution, Strong SCHEMBL4951217 0.86 FOLH1 (0.49) GGT1GABRR1FOLH1SLC6A5CPB2
Hydrochloric Acid SCHEMBL28514579 0.84 FOLH1 (0.56) GGT1FOLH1SLC6A5CPB2GSR
Hydrochloric Acid SCHEMBL29268898 0.84 FOLH1 (0.56) GGT1FOLH1SLC6A5CPB2GSR
Ammonia Solution, Strong SCHEMBL4951257 0.84 FOLH1 (0.56) GGT1FOLH1SLC6A5CPB2GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753330-B1 THERAPEUTIC USES OF ECTOIN BITOP AG (DE) 2017-11-08 EP disclosed
EP-3153185-A1 COMPOSITION FOR PROMOTING THE REGENERATION OF INJURED BODY TISSUE Bitop AG (DE) 2017-04-12 EP disclosed
WO-2013034299-A1 THERAPEUTIC USES OF ECTOIN BITOP AG (DE) 2013-03-14 WO disclosed