SCHEMBL8556821

SCHEMBL8556821

O=C1c2cccc(F)c2CC1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
AADAT Q8N5Z0 1/20 0.38
MAPK1 P28482 1/20 0.38
SRD5A1 P18405 1/20 0.37
CYP19A1 P11511 4/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD3 P35462 1/20 0.35
TYMS P04818 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
METAP1 P53582 1/20 0.33
TYR P14679 1/20 0.32

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
SCHEMBL30666598 1.00 ACHE (0.40) ACHENOS3NOS2AADATMAPK1
SCHEMBL22437227 0.82 DRD2 (0.45) ACHEMAPK1SRD5A1CYP19A1DRD2
SCHEMBL8555103 0.79 PIM1 (0.46) ACHECYP19A1CA1CA2CA7
SCHEMBL16556014 0.79 ACHE (0.41) ACHENOS3NOS2AADATMAPK1
SCHEMBL7335569 0.78 AADAT (0.41) ACHENOS3NOS2AADATMAPK1
SCHEMBL8558933 0.78 ACHE (0.40) ACHEAADATHTR1AHTR7
SCHEMBL6472550 0.78 ACHE (0.66) ACHENOS3NOS2AADATMAPK1
SCHEMBL30666419 0.78 ACHE (0.40) ACHEAADATHTR1AHTR7
SCHEMBL8560121 0.78 ACHE (0.66) ACHEAADATCYP19A1HTR2AHTR2C
SCHEMBL7180368 0.76 PARP10 (0.44) ACHEMAPK1HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016007736-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2016-01-14 WO 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-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