SCHEMBL7444463

SCHEMBL7444463

CS(=O)(=O)O.N=C(N)c1ccc([C@@H]2C[C@H](CC(=O)NCC(N)C(=O)O)ON2)cc1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.49
▸ ITGA2B P08514 20/20 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
SCHEMBL7438736 0.95 ITGB3 (0.53) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7451925 0.94 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7367239 0.84 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL6992922 0.84 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7375637 0.83 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7374127 0.81 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL9092432 0.81 ITGAV (0.50) ITGB3ITGA2B
SCHEMBL6989337 0.80 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7844777 0.80 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7401822 0.79 ITGB3 (0.57) ITGB3ITGA2B

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-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 — — WO disclosed
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