SCHEMBL9432306

SCHEMBL9432306

C1C[N]CCN(CCCN2CCOCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 6/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 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
SCHEMBL2750006 0.86 HRH3 (0.50) SMN1; SMN2SIGMAR1HRH3CYP1A2MAPK1
SCHEMBL42534 0.85 KDM4E (0.50) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL42822 0.81 HRH3 (0.55) SMN1; SMN2SIGMAR1HRH3CYP1A2MAPK1
SCHEMBL4042395 0.81 KEAP1 (0.62) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL6593644 0.81 HRH3 (0.42) SMN1; SMN2SIGMAR1POLBALDH1A1HRH3
SCHEMBL42493 0.79 HRH3 (0.59) SMN1; SMN2SIGMAR1POLBALDH1A1HRH3
SCHEMBL30596603 0.79 SMN1; SMN2 (0.60) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL1998867 0.78 KEAP1 (0.71) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL17377315 0.77 KEAP1 (0.62) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
Ammonia Solution, Strong SCHEMBL9400430 0.76 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed