SCHEMBL11320437

SCHEMBL11320437

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 7/20 0.50
▸ THRB P10828 1/20 0.47

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
SCHEMBL11328055 0.90 LMNA (0.56) MAPTTP53POLBLMNATHRB
SCHEMBL11322444 0.74 LMNA (0.55) MAPTTP53POLBLMNATHRB
SCHEMBL29150793 0.73 TP53 (0.60) MAPTTP53POLBLMNATHRB
SCHEMBL5784422 0.72 TP53 (0.63) MAPTTP53POLBLMNATHRB
SCHEMBL9549034 0.72 TP53 (0.63) MAPTTP53POLBLMNA
SCHEMBL15712623 0.68 HPGD (0.68) TP53LMNA
SCHEMBL27593179 0.68 ALDH1A1 (0.56) MAPTTP53POLBLMNATHRB
SCHEMBL16494288 0.68 RAB9A (0.71) MAPTTP53POLBLMNA
SCHEMBL6840331 0.67 ALDH1A1 (0.66) MAPTTP53POLBLMNA
SCHEMBL702130 0.67 HPGD (0.69) TP53LMNA

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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