SCHEMBL8119834

SCHEMBL8119834

NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)N(Cc1ccc(O)cc1)C(=O)c1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.46
▸ TRPM8 Q7Z2W7 9/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ FOLH1 Q04609 3/20 0.39
▸ F10 P00742 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HTRA1 Q92743 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A1 P43005 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) FOLH1HTTSLC1A3SLC1A1
SCHEMBL8112530 0.85 OPRM1 (0.44) FOLH1ANPEPHTTSLC1A3SLC1A1
SCHEMBL8126909 0.79 CASP1 (0.43) FOLH1HTTSLC1A3SLC1A1
SCHEMBL8121290 0.78 SLC1A3 (0.41) FOLH1ANPEPHTTSLC1A3SLC1A1
SCHEMBL8112045 0.78 FOLH1 (0.45) FOLH1ANPEPHTTSLC1A3SLC1A1
SCHEMBL8119982 0.76 FOLH1 (0.45) FOLH1ANPEPHTTSLC1A3SLC1A1
SCHEMBL8119833 0.76 MCHR1 (0.56) F10PLGPRSS1HTRA1
SCHEMBL8126814 0.75 FOLH1 (0.48) FOLH1ANPEPHTTSLC1A3SLC1A1
SCHEMBL7750702 0.74 F7 (0.43) F10
SCHEMBL8120934 0.74 HTT (0.48) FOLH1ANPEPHTTSLC1A3SLC1A1

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
Send feedback