Sugi Predict

Sugi Predict / Compounds / SCHEMBL9012113

SCHEMBL9012113

SCHEMBL9012113

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(/C(=N/C(=O)c2ccccc2)NC(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.46
▸ CMA1 P23946 1/20 0.43
▸ ACE P12821 12/20 0.43
▸ ACE2 Q9BYF1 6/20 0.43
▸ ELANE P08246 2/20 0.40
▸ CTSG P08311 1/20 0.40
▸ TMPRSS11D O60235 1/20 0.40

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
SCHEMBL9012129 1.00 F2 (0.46) F2CMA1ACEACE2ELANE
SCHEMBL9012544 0.90 F2 (0.45) F2CMA1ACE
SCHEMBL9012551 0.90 F2 (0.45) F2CMA1ACE
SCHEMBL9011941 0.90 F2 (0.51) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9011943 0.90 F2 (0.51) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9011998 0.87 F2 (0.50) F2CMA1ACETMPRSS11D
SCHEMBL9012003 0.87 F2 (0.50) F2CMA1ACETMPRSS11D
SCHEMBL9012557 0.87 F2 (0.46) F2CMA1ELANECTSGTMPRSS11D
SCHEMBL9012549 0.87 F2 (0.46) F2CMA1ELANECTSGTMPRSS11D
SCHEMBL9012328 0.85 F2 (0.41) F2CMA1ACETMPRSS11D

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-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP disclosed