SCHEMBL9828467

SCHEMBL9828467

[CH2]CCCCc1ccccc1NCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KCNH3 Q9ULD8 1/20 0.40
POLB P06746 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CNR2 P34972 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRM2 P08172 1/20 0.38
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLK1 P53350 1/20 0.37
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4557996 0.92 LIPG (0.51) LIPGL3MBTL1KCNH3POLBNR1H2
SCHEMBL10409294 0.92 LIPG (0.51) LIPGL3MBTL1KCNH3POLBNR1H2
SCHEMBL10408672 0.91 LIPG (0.49) LIPGL3MBTL1KCNH3POLBNR1H2
SCHEMBL10408667 0.89 LIPG (0.47) LIPGL3MBTL1KCNH3POLBCNR2
Hydrochloric Acid SCHEMBL25415935 0.84 L3MBTL1 (0.46) LIPGL3MBTL1KCNH3POLBCNR2
SCHEMBL10409269 0.82 LIPG (0.43) LIPGL3MBTL1KCNH3THRATHRB
SCHEMBL10409264 0.82 LIPG (0.43) LIPGL3MBTL1KCNH3THRATHRB
SCHEMBL5253208 0.82 LIPG (0.47) LIPGPOLBTHRATHRBNR1H2
SCHEMBL10408180 0.82 POLB (0.46) LIPGL3MBTL1POLBLMNASMN1; SMN2
SCHEMBL11647220 0.82 LIPG (0.58) LIPGTHRATHRBNR1H2NR1H3

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