SCHEMBL6206812

SCHEMBL6206812

O=C1c2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2CC1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
MAOB P27338 7/20 0.36
METAP1 P53582 2/20 0.36
CYP19A1 P11511 1/20 0.34
MAOA P21397 5/20 0.33
CYP24A1 Q07973 4/20 0.33
CYP27A1 Q02318 3/20 0.33
CYP26A1 O43174 2/20 0.32
GPR3 P46089 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6231954 0.92 THRA (0.38) ACHETHRATHRBMAOBMETAP1
SCHEMBL6189003 0.87 ACHE (0.45) ACHETHRATHRBMAOBMETAP1
SCHEMBL6205297 0.77 CES1 (0.47) METAP1CYP19A1GPR3
SCHEMBL6205706 0.76 MAOB (0.61) MAOBMAOA
SCHEMBL7522620 0.74 HSD17B10 (0.51) THRATHRBMETAP1MAPTTSHR
SCHEMBL26993692 0.73 MAOB (0.58) MAOBMAOA
SCHEMBL4462617 0.72 METAP1 (0.58) ACHEMETAP1CYP19A1CYP24A1CYP27A1
SCHEMBL11855191 0.69 TDP2 (0.46) CYP24A1CYP26A1GPR3
SCHEMBL6205730 0.68 MAOA (0.48) MAOBMETAP1MAOA
SCHEMBL6235056 0.68 MAOB (0.64) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157014-B1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT AVENTIS PHARMA GMBH (DE) 2005-08-24 EP disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1157014-A1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
US-6235763-B1 THERAPY FOR EATING DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-22 US disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000051994-A1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed