SCHEMBL10782255

SCHEMBL10782255

CC(C)C[C@H](NC(=O)c1cccnc1)C(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 10/20 0.52
▸ CTSB P07858 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 2/20 0.52
▸ SCN9A Q15858 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ ADAM17 P78536 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FPR2 P25090 1/20 0.44
▸ CTSV O60911 1/20 0.43

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
SCHEMBL10784866 0.85 CTSL (0.70) CTSLCTSBCTSSCTSK
SCHEMBL9828179 0.81 LMNA (0.57) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL2228194 0.81 LMNA (0.57) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL2227252 0.79 TAS1R3 (0.61) SCN9ALMNAALDH1A1MEN1KMT2A
SCHEMBL1687071 0.78 THRB (0.73) THRBLMNAALDH1A1MEN1KMT2A
SCHEMBL10784901 0.78 CTSK (0.56) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL5553285 0.77 LMNA (0.65) THRBLMNAADAM17ALDH1A1MEN1
SCHEMBL8006880 0.76 ERAP2 (0.52) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL10780117 0.76 CTSL (0.48) CTSLCTSBCTSSCTSK
SCHEMBL6184185 0.75 CTSL (0.53) CTSLCTSBCTSSCTSKSCN9A

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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