SCHEMBL30694102

SCHEMBL30694102

N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.66
OPRD1 P41143 3/20 0.65
F10 P00742 1/20 0.52
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
OPRK1 P41145 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
ROCK2 O75116 1/20 0.46
CYP3A4 P08684 1/20 0.46
CAPN1 P07384 1/20 0.45

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
SCHEMBL31267102 0.79 DPP4 (0.57) DPP4OPRD1
SCHEMBL30502781 0.79 DPP4 (0.57) DPP4OPRD1
SCHEMBL5556801 0.79 HDAC8 (0.70) DPP4OPRD1HDAC8
SCHEMBL6583576 0.77 POLB (0.64) DPP4OPRD1POLBHDAC8
SCHEMBL5366185 0.77 POLB (0.64) DPP4OPRD1POLBHDAC8
SCHEMBL6163111 0.76 CALCRL (0.68) DPP4OPRD1CYP3A4
Hydrochloric Acid SCHEMBL6163044 0.76 OPRD1 (0.54) DPP4OPRD1OPRK1CYP3A4
Hydrochloric Acid SCHEMBL6162622 0.76 OPRD1 (0.52) DPP4OPRD1POLBOPRK1CYP3A4
SCHEMBL7562501 0.76 CHRM1 (0.51) DPP4OPRD1POLBL3MBTL1OPRK1
SCHEMBL7562507 0.76 CHRM1 (0.51) DPP4OPRD1POLBL3MBTL1OPRK1

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
CN-117500772-A Improved prostate specific membrane antigen targeted radiopharmaceuticals and uses thereof 泰利克斯制药(创新)私人有限公司 2024-02-02 CN disclosed