SCHEMBL10404377

SCHEMBL10404377

C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ACE P12821 2/20 0.49
▸ PREP P48147 1/20 0.48
▸ SLC6A9 P48067 9/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45

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
SCHEMBL10404152 0.85 SMN1; SMN2 (0.52) POLBSMN1; SMN2ACELMNA
SCHEMBL10404199 0.85 SMN1; SMN2 (0.52) POLBSMN1; SMN2ACELMNA
SCHEMBL10404111 0.83 SMN1; SMN2 (0.64) POLBSMN1; SMN2ACELMNA
SCHEMBL10403936 0.82 SMN1; SMN2 (0.52) POLBSMN1; SMN2ACELMNA
SCHEMBL8654840 0.79 PREP (0.71) PREPSLC6A9
SCHEMBL8654838 0.79 PREP (0.71) PREPSLC6A9
SCHEMBL22209483 0.79 PREP (0.52) ACEPREPLMNA
SCHEMBL10887424 0.78 SMN1; SMN2 (0.47) POLBSMN1; SMN2ACELMNA
SCHEMBL10403618 0.77 POLB (0.77) POLBSMN1; SMN2ACELMNA
SCHEMBL10058307 0.76 ACE (0.61) SMN1; SMN2ACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US claimed
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US claimed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US disclosed
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