SCHEMBL8126909

SCHEMBL8126909

NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)N(Cc1ccc(O)cc1)C(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.43
▸ FOLH1 Q04609 5/20 0.42
▸ TGM2 P21980 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ PTGER4 P35408 5/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8121355 0.88 TGM2 (0.42) FOLH1TGM2HTTSLC1A3SLC1A1
SCHEMBL8121290 0.86 SLC1A3 (0.41) FOLH1TGM2HTTSLC1A3SLC1A1
SCHEMBL8112530 0.81 OPRM1 (0.44) FOLH1HTTSLC1A3SLC1A1SMN1; SMN2
SCHEMBL8112045 0.81 FOLH1 (0.45) FOLH1TGM2HTTSLC1A3SLC1A1
SCHEMBL8119982 0.80 FOLH1 (0.45) FOLH1TGM2HTTSLC1A3SLC1A1
SCHEMBL4650760 0.80 TRPV1 (0.41) —
SCHEMBL8119834 0.79 CFTR (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL8126814 0.79 FOLH1 (0.48) FOLH1TGM2HTTSLC1A3SLC1A1
SCHEMBL7801973 0.77 MC3R (0.38) —
SCHEMBL8120934 0.77 HTT (0.48) FOLH1TGM2HTTSLC1A3SLC1A1

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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