SCHEMBL29414315

SCHEMBL29414315

CC(C)CC(NC(=O)c1cc2cccnc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 1/20 0.38
▸ REN P00797 1/20 0.38

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
SCHEMBL25243640 1.00 TAS1R3 (0.40) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25240278 1.00 TAS1R3 (0.40) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25286945 1.00 TAS1R3 (0.40) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25284002 0.87 TAS1R3 (0.56) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25243875 0.87 TAS1R3 (0.56) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25286876 0.87 TAS1R3 (0.56) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL25237451 0.86 TAS1R3 (0.42) TAS1R3TAS1R1CTSLCTSS
SCHEMBL25244556 0.86 TAS1R3 (0.42) TAS1R3TAS1R1CTSLCTSS
SCHEMBL25250566 0.86 TAS1R3 (0.42) TAS1R3TAS1R1CTSLCTSS
SCHEMBL29414261 0.86 TAS1R3 (0.42) TAS1R3TAS1R1CTSLCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 — — WO disclosed
Send feedback