SCHEMBL11328055

SCHEMBL11328055

[C-]#[N+]C(C)(Cc1ccc2c(c1)CCN2C(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.56
▸ TP53 P04637 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL11320437 0.90 MAPT (0.53) LMNATP53POLBMAPTTHRB
SCHEMBL11322444 0.82 LMNA (0.55) LMNATP53POLBMAPTTHRB
SCHEMBL29150793 0.74 TP53 (0.60) LMNATP53POLBMAPTTHRB
SCHEMBL9549034 0.74 TP53 (0.63) LMNATP53POLBMAPT
SCHEMBL5784422 0.74 TP53 (0.63) LMNATP53POLBMAPTTHRB
SCHEMBL11305082 0.73 PTPRB (0.46) LMNAPOLB
SCHEMBL912513 0.73 HPGD (0.61) LMNATP53POLBMAPTTHRB
SCHEMBL16494288 0.71 RAB9A (0.71) LMNATP53POLBMAPT
SCHEMBL15712623 0.70 HPGD (0.68) LMNATP53
SCHEMBL6840331 0.69 ALDH1A1 (0.66) LMNATP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 — — US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 — — US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 — — US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 — — US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 — — US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 — — US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 — — US disclosed
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