Diaminopropanoic Acid

Diaminopropanoic Acid

SCHEMBL8035562

COc1cccc(C=O)c1.NCC(N)C(=O)O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.59
GRIK2 Q13002 2/20 0.59
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.47
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 1/20 0.47
SLC1A5 Q15758 2/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
Diaminopropanoic Acid SCHEMBL8035556 1.00 GRIK1 (0.59) GRIK1GRIK2NPC1RAB9ATDP1
Lysine SCHEMBL8039215 0.86 GRIK1 (0.54) GRIK1GRIK2NPC1RAB9ATDP1
Lysine SCHEMBL8039212 0.86 GRIK1 (0.54) GRIK1GRIK2NPC1RAB9ATDP1
Glycine SCHEMBL7801464 0.85 NPC1 (0.55) GRIK1GRIK2NPC1RAB9ATDP1
Anisaldehyde SCHEMBL8037521 0.84 ALDH1A1 (0.58) GRIK1GRIK2NPC1RAB9AALDH1A1
Anisaldehyde SCHEMBL8037525 0.84 ALDH1A1 (0.58) GRIK1GRIK2NPC1RAB9AALDH1A1
Cyclohexylamine SCHEMBL8041423 0.82 GRIK1 (0.43) GRIK1GRIK2NPC1RAB9ATDP1
2-(Aminomethyl)Phenol SCHEMBL8025682 0.82 SLC1A5 (0.45) GRIK1GRIK2NPC1RAB9ATDP1
Cyclohexylamine SCHEMBL8041427 0.82 GRIK1 (0.43) GRIK1GRIK2NPC1RAB9ATDP1
2-(Aminomethyl)Phenol SCHEMBL8025681 0.82 SLC1A5 (0.45) GRIK1GRIK2NPC1RAB9ATDP1

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-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed