SCHEMBL10602182

SCHEMBL10602182

CCOC(=O)[C@H](CCc1ccccc1)N(C(=O)OCC(Cl)(Cl)Cl)[C@@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ABCB11 O95342 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL8971352 0.90 SMN1; SMN2 (0.42) ACESMN1; SMN2ABCB11LMNA
SCHEMBL8971348 0.90 SMN1; SMN2 (0.42) ACESMN1; SMN2ABCB11LMNA
SCHEMBL11102007 0.89 SMN1; SMN2 (0.41) ACESMN1; SMN2ABCB11LMNA
SCHEMBL6656395 0.84 SMN1; SMN2 (0.44) ACESMN1; SMN2ABCB11CTSSCTSK
SCHEMBL6656396 0.84 SMN1; SMN2 (0.44) ACESMN1; SMN2ABCB11CTSSCTSK
SCHEMBL10601120 0.84 ACE (0.34) ACESMN1; SMN2ABCB11CTSSCTSK
SCHEMBL8972536 0.80 ACE (0.46) ACEABCB11LMNA
SCHEMBL10602826 0.79 ACE (0.37) ACEABCB11
SCHEMBL11001187 0.79 ACE (0.41) ACESMN1; SMN2ABCB11LMNA
SCHEMBL1994862 0.78 SMN1; SMN2 (0.44) ACESMN1; SMN2ABCB11LMNA

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
EP-0112511-B1 NEW COMPOUNDS, PHARMACEUTICAL PREPARATIONS CONTAINING SAME AND PROCESS FOR THEIR PREPARATION RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-09-06 EP disclosed
US-4659711-A 1,2,3,4-Tetrahydrophthalazine and hexahydropyridazine compounds for treating hypertension USV PHARMACEUTICAL CORPORATION (US) 1987-04-21 US disclosed
US-4596791-A Containing heterocyclic fused ring USV PHARMACEUTICAL CORP. (US) 1986-06-24 US disclosed
US-4558038-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORP. (US) 1985-12-10 US disclosed
US-4496542-A HYPOTENSIVE AGENTS; ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1985-01-29 US disclosed
US-4482544-A Compounds for treating hypertension USV PHARMACEUTICAL CORPORATION (US) 1984-11-13 US disclosed
EP-0112511-A2 New compounds, pharmaceutical preparations containing same and process for their preparation RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-07-04 EP disclosed