SCHEMBL10780784

SCHEMBL10780784

CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.69
▸ TAS1R1 Q7RTX1 1/20 0.69
▸ CTSS P25774 4/20 0.61
▸ CTSL P07711 3/20 0.61
▸ CTSK P43235 2/20 0.57
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ F2RL1 P55085 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ PYGL P06737 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ HSPA8 P11142 1/20 0.47
▸ HSPA2 P54652 1/20 0.47

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
SCHEMBL10784947 0.85 TAS1R3 (0.67) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL702414 0.82 TAS1R3 (1.00) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25517395 0.82 TAS1R3 (1.00) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL30174792 0.82 TAS1R3 (1.00) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL702413 0.82 TAS1R3 (1.00) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25244832 0.81 TAS1R3 (0.70) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25287270 0.81 TAS1R3 (0.70) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25244468 0.81 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25286173 0.81 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL10784315 0.80 CTSS (0.43) TAS1R3TAS1R1CTSSCTSLCTSK

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-0099056-B1 N-ACYL DERIVATIVES OF DIPEPTIDES, THEIR MANUFACTURE AND USE IN TREATING DISEASES, AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-09-30 — — EP disclosed
US-4610818-A N-acyl derivatives of dipeptides, their preparation and their use in the therapy of disorders, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 — — US disclosed
EP-0099056-A2 N-acyl derivatives of dipeptides, their manufacture and use in treating diseases, and means therefor BASF Aktiengesellschaft (DE) 1984-01-25 — — EP disclosed
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