SCHEMBL8313731

SCHEMBL8313731

Cc1cc2c(OCc3ccccc3)nnc(Cl)c2n1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
DAPK1 P53355 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.36
ACHE P22303 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL8311469 0.91 ALDH1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8459060 0.88 DYRK1A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8316587 0.81 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8314143 0.79 DYRK1A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8312429 0.73 ALDH1A1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8316729 0.72 ALDH1A1 (0.50) ALDH1A1LMNANPSR1TSHRMAPK1
SCHEMBL27384790 0.70 NPSR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27384792 0.70 NPSR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23105054 0.68 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23105007 0.68 NPSR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609328-B1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-28 EP disclosed
US-5534515-A Pyrrolopyridazines having gastrointestinal protective effects BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-07-09 US disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed