SCHEMBL6205297

SCHEMBL6205297

O=C1c2ccc(OC(F)(F)F)cc2CC1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
GPR3 P46089 5/20 0.42
METAP1 P53582 2/20 0.39
TGM2 P21980 1/20 0.39
CYP19A1 P11511 1/20 0.39
CHRM5 P08912 5/20 0.37
GRIN2B Q13224 1/20 0.36
LRRK2 Q5S007 1/20 0.36
BACE1 P56817 1/20 0.35
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL26706119 0.85 CES1 (0.44) CES1GPR3TGM2CYP19A1CHRM5
SCHEMBL6189003 0.81 ACHE (0.45) GPR3METAP1CYP19A1KDM4E
SCHEMBL4462617 0.80 METAP1 (0.58) METAP1CYP19A1KDM4E
SCHEMBL6231954 0.79 THRA (0.38) GPR3METAP1CYP19A1
SCHEMBL6206812 0.77 ACHE (0.37) GPR3METAP1CYP19A1
SCHEMBL26706358 0.77 CES1 (0.44) CES1GPR3CYP19A1LRRK2BACE1
SCHEMBL11855191 0.76 TDP2 (0.46) GPR3
SCHEMBL3820818 0.75 METAP1 (0.72) METAP1CYP19A1
SCHEMBL6205730 0.75 MAOA (0.48) CES1METAP1TGM2
Hydrochloric Acid SCHEMBL5461469 0.74 METAP1 (0.73) METAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO 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-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-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
EP-0752991-B1 IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed