SCHEMBL6971063

SCHEMBL6971063

O=C1c2cc(F)ccc2CC1Br

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 1/20 0.42
NOS3 P29474 1/20 0.41
SRD5A1 P18405 1/20 0.37
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAOB P27338 5/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL30666881 0.85 ACHE (0.46) ACHENOS3SRD5A1MAOBHTR1A
SCHEMBL1238953 0.85 ACHE (0.46) ACHENOS3SRD5A1MAOBHTR1A
SCHEMBL9180622 0.82 ACHE (0.51) ACHEPARP1PARP10SRD5A1CYP19A1
SCHEMBL24897654 0.80 ACHE (0.66) ACHEPARP1PARP10NOS3SRD5A1
SCHEMBL1593567 0.80 ACHE (0.49) ACHEPARP1PARP10SRD5A1CYP19A1
SCHEMBL17675410 0.79 METAP1 (0.44) ACHEPARP1PARP10CYP19A1CA1
SCHEMBL8968134 0.79 ACHE (0.66) ACHEPARP1PARP10NOS3SRD5A1
SCHEMBL6974545 0.78 ACHE (0.66) ACHEPARP1PARP10CYP19A1CA1
SCHEMBL2585275 0.78 ACHE (1.00) ACHEPARP1PARP10NOS3SRD5A1
SCHEMBL7847032 0.78 METAP1 (0.43) ACHEPARP1PARP10CYP19A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1122666-C New 2,3-dioxide, indanol compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2003-10-01 CN disclosed
EP-0906912-B1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6060487-A Indanol compounds ADIR ET COMPAGNIE (FR) 2000-05-09 US disclosed
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed
EP-0906912-A1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-04-07 EP disclosed
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0662971-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE POULENC RORER SA (FR) 1998-05-13 EP disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
US-5565479-A IMIDAZOLYL FUSED THIAZOLES ANTISEROTONINE AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0666263-A1 NOVEL CONDENSED THIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-08-09 EP disclosed
EP-0662971-A1 DERIVATIVES OF 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM Aventis Pharma S.A. (FR) 1995-07-19 EP disclosed
WO-1994007893-A1 DERIVATIVES OF 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1994-04-14 WO disclosed