SCHEMBL8668940

SCHEMBL8668940

CC(=O)OCC1CC(C(=O)O)N(C(=O)CN)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.41
▸ SLC18A3 Q16572 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AGTR2 P50052 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ XIAP P98170 1/20 0.33

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
SCHEMBL8666332 0.79 ACE (0.54) ACEDPP4DPP8DPP7MEN1
SCHEMBL8671884 0.75 ACE (0.46) ACETSHRDPP4DPP8DPP7
SCHEMBL8667007 0.71 POLB (0.44) ACEMEN1HTTKMT2APOLB
SCHEMBL8669414 0.71 SIGMAR1 (0.43) ACE
SCHEMBL8668286 0.70 ITGB1 (0.44) ACESMN1; SMN2ALDH1A1
SCHEMBL8667711 0.68 ACE (0.41) ACEDPP4DPP8DPP7MEN1
SCHEMBL7775338 0.66 FFAR2 (0.48) ACEFFAR2
SCHEMBL8869991 0.66 FFAR2 (0.48) ACEFFAR2
SCHEMBL7775333 0.66 FFAR2 (0.48) ACEFFAR2
SCHEMBL8667689 0.66 GPR88 (0.35) ACEMEN1KMT2AFFAR2AGTR2

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-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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