SCHEMBL27557962

SCHEMBL27557962

Cn1nccc(N2CCNCC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.46
NCF1 P14598 7/20 0.43
ADRB2 P07550 3/20 0.43
SCD O00767 1/20 0.43
ADRB1 P08588 4/20 0.42
PLD1 Q13393 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
Hydrochloric Acid SCHEMBL4936358 0.98 BRD9 (0.45) BRD9NCF1ADRB2SCDADRB1
Hydrochloric Acid SCHEMBL27557736 0.98 BRD9 (0.45) BRD9NCF1ADRB2SCDADRB1
SCHEMBL23505274 0.75 PLD1 (0.46) NCF1ADRB2ADRB1PLD1HTR2C
SCHEMBL9124077 0.74 PKM (0.54) BRD9ADRB1HTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL26600353 0.74 PLD1 (0.44) NCF1ADRB2ADRB1PLD1HTR2C
SCHEMBL5926338 0.73 HTR3A (0.40) BRD9NCF1ADRB2ADRB1PLD1
SCHEMBL8226475 0.69 HTR7 (0.43) HTR6
SCHEMBL5758664 0.69 NCF1 (0.45) NCF1ADRB2ADRB1PLD1HTR2A
Hydrochloric Acid SCHEMBL4810850 0.68 NCF1 (0.44) NCF1ADRB2ADRB1PLD1HTR2A
SCHEMBL8340628 0.68

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
CN-1304379-C Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO (JP) 2007-03-14 CN disclosed
CN-1759103-A Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO (JP) 2006-04-12 CN disclosed
CN-1558903-A Water-soluble phenylpyridazine derivative and drug containing the same ������������ʽ���� 2004-12-29 CN disclosed