SCHEMBL9367447

SCHEMBL9367447

NCCC(N)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
HTR2A P28223 2/20 0.55
S1PR2 O95136 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
GRIK1 P39086 1/20 0.47
MAOB P27338 2/20 0.45
EPHX1 P07099 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL11805109 0.92 S1PR2 (0.62) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL3266047 0.92 S1PR2 (0.59) MAOAHTR2AS1PR2S1PR4S1PR1
Hydrochloric Acid SCHEMBL1979100 0.90 S1PR2 (0.57) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL3585497 0.88 HTR2A (0.56) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL7622782 0.86 MAOA (0.54) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL11134033 0.82 S1PR2 (0.51) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL8634823 0.82 EPHX1 (0.64) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL4890813 0.81 MAOA (0.59) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL6820062 0.80 S1PR2 (0.53) MAOAHTR2AS1PR2S1PR4S1PR1
SCHEMBL11098738 0.80 S1PR2 (0.49) MAOAHTR2AS1PR2S1PR4S1PR1

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
EP-0290377-B1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AG (DE) 1994-03-02 EP disclosed
EP-0290377-A1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-11-09 EP disclosed