SCHEMBL28071677

SCHEMBL28071677

C[C@@H](CC(=O)CS)C(=O)OC(=O)C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.32
▸ TLR2 O60603 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL2706462 0.86 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL2422874 0.86 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL28911945 0.86 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL333102 0.86 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL675798 0.86 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL11559061 0.85 PRCP (0.35) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL11557434 0.85 REN (0.35) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL11559258 0.83 NOS2 (0.38) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL7377621 0.83 DPP7 (0.36) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL11562016 0.82 PRCP (0.36) PRCPDPP7TLR2CYP1A2CYP3A4

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-105777712-A Tetrahydroisoquinoline derivative and application thereof 沈阳药科大学 2016-07-20 — — CN disclosed
Send feedback