SCHEMBL8552212

SCHEMBL8552212

O=C1c2c(ccc(Cl)c2Cl)CC1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL30666639 1.00 CES1 (0.34) CES1HTR2AHTR2CHTR2BADRA2A
SCHEMBL30666820 0.82 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL30666798 0.82 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL5951701 0.78 ACHE (0.50) CES1HTR2AHTR2CHTR2B
SCHEMBL9329858 0.70 DRD3 (0.36) HTR2AHTR2CHTR2BADRA2AADRA2B
SCHEMBL8559576 0.70 CES1 (0.34) CES1HTR2AHTR2CHTR2BADRA2A
SCHEMBL7847032 0.67 METAP1 (0.43) CES1HTR2AHTR2CHTR2B
SCHEMBL11708720 0.66 MAPT (0.39) HTR2AHTR2CHTR2B
SCHEMBL8552891 0.65 HTR1A (0.38) CES1HTR2AHTR2C
SCHEMBL1338530 0.64 NOTUM (0.40) CES1HTR2AHTR2CHTR2BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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