SCHEMBL9129164

SCHEMBL9129164

C[C@H](N)C(=O)CCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TBXA2R P21731 3/20 0.54
ALDH1A1 P00352 2/20 0.50
PPARG P37231 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TBXAS1 P24557 1/20 0.49
HTT P42858 1/20 0.46

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
SCHEMBL9128423 0.88 F2 (0.59) SGMS1TBXA2RTBXAS1
SCHEMBL9129247 0.87 GPR35 (0.49) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9129003 0.81 SGMS1 (0.57) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9128700 0.81 MEN1 (0.65) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9493082 0.80 MEN1 (0.64) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9130507 0.79 SGMS1 (0.68) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9130180 0.79 MEN1 (0.62) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9129452 0.78 MEN1 (0.58) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL8840163 0.78 TBXA2R (0.79) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9128346 0.77 SGMS1 (0.57) SGMS1MEN1KMT2ATBXA2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed