SCHEMBL9827733

SCHEMBL9827733

[CH2]CCc1cccc(NCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.43
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABL1 P00519 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL18631859 0.88 HDAC4 (0.49) F2RHDAC4MEF2DS1PR4S1PR1
SCHEMBL5255651 0.86 SIGMAR1 (0.43) F2RHDAC4MEF2DS1PR4S1PR1
SCHEMBL11806086 0.84 S1PR1 (0.43) HDAC4MEF2DS1PR4S1PR1S1PR5
SCHEMBL15946031 0.83 HDAC4 (0.48) HDAC4MEF2DS1PR4S1PR1S1PR5
SCHEMBL28044646 0.83 RAPGEF4 (0.47) F2RHDAC4MEF2DMAPTHTT
SCHEMBL11410042 0.82 S1PR1 (0.53) S1PR4S1PR1S1PR5ABL1LPL
SCHEMBL1068395 0.82 S1PR1 (0.53) S1PR4S1PR1S1PR5ABL1LPL
SCHEMBL15576279 0.81 L3MBTL1 (0.49) HDAC4MEF2DS1PR4S1PR1S1PR5
SCHEMBL8667014 0.80 F2R (0.56) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL4663774 0.80 F2R (0.45) F2RMAPTHTTCYP1A2CYP3A4

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-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 EP disclosed