SCHEMBL10784947

SCHEMBL10784947

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.67
▸ TAS1R1 Q7RTX1 1/20 0.67
▸ CTSS P25774 4/20 0.63
▸ CTSL P07711 3/20 0.63
▸ CTSK P43235 2/20 0.58
▸ F2RL1 P55085 1/20 0.56
▸ GAA P10253 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ DRD2 P14416 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PYGL P06737 1/20 0.51
▸ F2R P25116 1/20 0.49

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
SCHEMBL25286173 0.86 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25244468 0.86 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL10780784 0.85 TAS1R3 (0.69) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25238203 0.83 TAS1R3 (0.62) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25282469 0.83 TAS1R3 (0.62) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25517392 0.83 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL20853657 0.83 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25197064 0.83 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25287270 0.82 TAS1R3 (0.70) TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL25244832 0.82 TAS1R3 (0.70) 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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