SCHEMBL10643228

SCHEMBL10643228

CN1C(=O)COc2ccc(CCCC(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
HTR1A P08908 6/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR2C P28335 2/20 0.41
CYP3A4 P08684 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
SCHEMBL17316537 0.84 TSHR (0.50) KMOHTR1AHTR1DHTR1BSLC6A4
SCHEMBL19016817 0.84 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL9594271 0.82 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL8249215 0.81 HTR1A (0.52) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4173618 0.80 HTR1A (0.51) KMOHTR1AHTR1DHTR1BSLC6A4
SCHEMBL23085544 0.80 RIPK1 (0.44) KMOHTR1AHTR1DHTR1BSLC6A4
SCHEMBL554626 0.80 PDE3B (0.48) KMOHTR1AHTR1DHTR1BSLC6A4
SCHEMBL10929292 0.79 PDE3B (0.45) KMOHTR1AHTR1DHTR1BSLC6A4
SCHEMBL10641509 0.79 KMO (0.41) KMOTSHRHTTPOLBTP53
SCHEMBL764050 0.78 PARP1 (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed