SCHEMBL7500028

SCHEMBL7500028

CC(C)(C)OC(=O)N(CC(=O)O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7503707 0.88 POLB (0.48) POLBTSHRLMNASMN1; SMN2GAA
Lithium Ion SCHEMBL5868305 0.86 POLB (0.47) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL4840210 0.85 POLB (0.46) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL29075996 0.85 POLB (0.69) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL27286074 0.85 POLB (0.52) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL30946916 0.85 POLB (0.52) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL8486574 0.84 POLB (0.48) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL19317381 0.83 POLB (0.49) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL30876406 0.83 POLB (0.49) POLBTSHRLMNASMN1; SMN2GAA
SCHEMBL2042846 0.83 POLB (0.47) POLBTSHRLMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP disclosed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed