SCHEMBL6233067

SCHEMBL6233067

O=C=NNCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
PNMT P11086 1/20 0.46
HDAC1 Q13547 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
PYCR1 P32322 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL28750594 0.79 CA12 (0.43) MEN1KMT2ACYP3A4IDO1
SCHEMBL3303148 0.78 CHRM2 (0.53) CHRM2PNMTHDAC1TAAR1CYP3A4
SCHEMBL7066938 0.74 CHRM2 (0.74) CHRM2PNMTHDAC1TAAR1CYP3A4
SCHEMBL27908406 0.72 CHRM2 (0.60) CHRM2PNMTHDAC1TAAR1CYP3A4
SCHEMBL30656906 0.72 CHRM2 (0.60) CHRM2PNMTHDAC1TAAR1CYP3A4
SCHEMBL30483624 0.72 HTR3E (0.52) CHRM2PNMTTAAR1CYP3A4IDO1
SCHEMBL3924560 0.72 HTR3E (0.52) CHRM2PNMTTAAR1CYP3A4IDO1
SCHEMBL6700054 0.72 CHRM2 (0.55) CHRM2PNMTHDAC1MEN1KMT2A
SCHEMBL632217 0.72 CHRM2 (0.55) CHRM2PNMTHDAC1MEN1KMT2A
SCHEMBL28481155 0.71 MEN1 (0.62) CHRM2PNMTHDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed