SCHEMBL6850645

SCHEMBL6850645

C[C@@H](N)Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.65
CYP17A1 P05093 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC6A4 P31645 2/20 0.52
MAOA P21397 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 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
SCHEMBL5018819 0.87 LTA4H (0.61) LTA4HCYP17A1CYP11B1CYP11B2CYP2A6
SCHEMBL19112031 0.81 LTA4H (0.54) LTA4HCYP17A1CYP11B1CYP11B2SLC6A2
SCHEMBL7609597 0.79 PPARG (0.58) LTA4HCYP17A1CYP11B1CYP11B2SLC6A3
SCHEMBL6170897 0.79 PPARG (0.58) LTA4HCYP17A1CYP11B1CYP11B2SLC6A3
SCHEMBL112455 0.79 LTA4H (1.00) LTA4HCYP17A1CYP11B1CYP11B2TAAR1
SCHEMBL18554074 0.79 HDAC1 (0.52) LTA4HPPARGPPARA
SCHEMBL20474609 0.79 HDAC1 (0.52) LTA4HPPARGPPARA
SCHEMBL27852110 0.78 TAAR1 (0.67) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL27637944 0.78 TAAR1 (0.67) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL4624045 0.78 TAAR1 (0.67) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777190-B1 Crosstalk inhibitors and their uses BIOSITE, INC. 2004-08-17 US disclosed
EP-0579767-B1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INC (US) 2000-08-23 EP disclosed
EP-0585310-B1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INC (US) 1999-03-17 EP disclosed
US-5851776-A Conjugates and assays for simultaneous detection of multiple ligands BIOSITE DIAGNOSTICS, INC. (US) 1998-12-22 US disclosed
US-5525524-A ASSAY FOR DETERMINING AMOUNT OR PRESENCE OF A TARGET HAPTEN WHICH COMPETES (FOR BINDING TO ITS SPECIFIC RECEPTOR) WITH AT LEAST ONE ANALOGUE ON A CONJUGATE IN A REACTION MIXTURE BIOSITE DIAGNOSTICS, INC. (US) 1996-06-11 US disclosed
US-5470997-A Amphetamine derivatives and protein and polypeptide amphetamine derivative conjugates and labels BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-11-28 US disclosed
EP-0585310-A4 CROSSTALK INHIBITORS AND THEIR USES. BIOSITE DIAGNOSTICS INC (US) 1995-06-14 EP disclosed
EP-0579767-A4 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS. BIOSITE DIAGNOSTICS INC (US) 1995-05-17 EP disclosed
EP-0634999-A4 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS. 1995-02-01 EP disclosed
EP-0634999-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
EP-0585310-A1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1994-03-09 EP disclosed
EP-0579767-A1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INC. (US) 1994-01-26 EP disclosed
WO-1993020048-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 WO disclosed
WO-1992018868-A1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1992-10-29 WO disclosed
WO-1992018866-A1 NOVEL CONJUGATES AND ASSAYS FOR SIMULTANEOUS DETECTION OF MULTIPLE LIGANDS BIOSITE DIAGNOSTICS INCORPORATED (US) 1992-10-29 WO disclosed