SCHEMBL8975742

SCHEMBL8975742

N[C@H](CCC(=O)O)C(=O)N1CCC2(CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.50
DPP4 P27487 4/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
FAP Q12884 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 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
SCHEMBL8975743 1.00 CCKBR (0.50) CCKBRDPP4DPP8DPP9FAP
SCHEMBL6475403 0.83 DPP7 (0.53) DPP4DPP8DPP9FAPDPP7
SCHEMBL6475399 0.83 DPP7 (0.53) DPP4DPP8DPP9FAPDPP7
SCHEMBL23326160 0.76 CYP1A2 (0.47) DPP4DPP8DPP9FAPDPP7
SCHEMBL19878289 0.76 CYP1A2 (0.47) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL28393648 0.74 CYP1A2 (0.46) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL28393647 0.74 CYP1A2 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL7318947 0.73 DPP4 (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL27269483 0.71 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL14571346 0.71 DPP4 (0.45) DPP4DPP8DPP9FAPDPP7

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-5500430-A Amidic derivatives of glutamic, aspartic and 2-amino adipic acids, a process for preparing same, and anti-gastrin composition containing the derivatives ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1996-03-19 US disclosed