SCHEMBL29609073

SCHEMBL29609073

CC(C)(C)C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.CS(=O)(=O)O

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL24108850 0.96 — —
Hydrochloric Acid SCHEMBL29609036 0.95 — —
SCHEMBL34468089 0.89 — —
SCHEMBL29062683 0.89 — —
SCHEMBL24020648 0.89 — —
SCHEMBL29062684 0.89 — —
Hydrochloric Acid SCHEMBL29736932 0.88 — —
SCHEMBL23824595 0.87 — —
SCHEMBL23824593 0.87 — —
SCHEMBL30310520 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 — — US disclosed
EP-4516301-A2 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2025-03-05 — — EP disclosed
EP-4166539-B1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS PFIZER (US) 2024-10-09 — — EP disclosed
US-20230120254-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2023-04-20 — — US disclosed
EP-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 — — EP disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 — — US disclosed
EP-3953330-B1 NITRILE-CONTAINING COMPOUNDS USEFUL AS ANTIVIRAL AGENTS FOR THE TREATMENT OF A CORONAVIRUS INFECTION PFIZER (US) 2022-10-12 — — EP disclosed
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 — — US disclosed
US-20220257563-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-08-18 — — US disclosed
US-11351149-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-06-07 — — US disclosed
US-20220142976-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-05-12 — — US disclosed
Send feedback