SCHEMBL8853787

SCHEMBL8853787

CCCCC(N)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)CC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.50
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
CTSD P07339 6/20 0.44
BACE1 P56817 3/20 0.44
CNR2 P34972 1/20 0.41
CTSC P53634 1/20 0.40
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL7275501 0.78 MMP2 (0.50)
SCHEMBL21012489 0.76 OPRM1 (0.45) RENOPRM1OPRD1CNR2CTSC
SCHEMBL30973624 0.76 MME (0.64) OPRM1OPRD1
SCHEMBL8583007 0.76 MME (0.64) OPRM1OPRD1
SCHEMBL9956195 0.76 MME (0.64) OPRM1OPRD1
SCHEMBL30555017 0.73 MME (0.60) RENOPRM1OPRD1
SCHEMBL7999621 0.72 NPY1R (0.60) RENBACE1
SCHEMBL7999628 0.72 NPY1R (0.60) RENBACE1
SCHEMBL7298969 0.72 NPC1 (0.51) CTSDBACE1
SCHEMBL6446490 0.72 NPC1 (0.51) CTSDBACE1

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-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed