SCHEMBL6818442

SCHEMBL6818442

CC(=NCCc1ccc(Cl)cc1)NC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
MIF P14174 1/20 0.44
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
RXFP3 Q9NSD7 2/20 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
SCHEMBL7537951 0.76 ADORA2A (0.45) TAAR1RXFP3NAMPT
SCHEMBL9214847 0.75 NAMPT (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9212769 0.72 HTR1A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9212779 0.72 HTR1A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9211741 0.71 SMN1; SMN2 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9211746 0.71 SMN1; SMN2 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8305870 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL739300 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL6818444 0.69 CYP1A2 (0.49) ALDH1A1LMNATAAR1SMN1; SMN2CYP1A2
SCHEMBL9300451 0.68 NAMPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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-1097128-B1 IMIDAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-05-12 EP disclosed
US-6638979-B1 Imidamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed