SCHEMBL7001558

SCHEMBL7001558

CNC1c2ccccc2Sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 2/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL5133396 0.73 MAOA (0.41) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
SCHEMBL6998428 0.73 KMT2A (0.50) LMNATSHRBCHEACHEHTR2A
SCHEMBL904813 0.73 MAOA (0.41) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
Hydrochloric Acid SCHEMBL3895431 0.71 KMT2A (0.48) LMNATSHRBCHEACHEHTR2A
SCHEMBL3068122 0.70 MAOA (0.38) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
SCHEMBL9834139 0.70 CYP2D6 (0.48) SLC6A2CYP2D6ADRA1AKCNH2LMNA
SCHEMBL11834975 0.70 CYP2D6 (0.59) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
SCHEMBL16835553 0.69 HTR2C (0.46) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
SCHEMBL7400164 0.69 HTR2C (0.39) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A
SCHEMBL29697456 0.69 MAOA (0.46) SLC6A2CYP2D6ADRA2ASLC6A4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147489-C New bicyclo aminopyrazineone compound, its producing process and medical composition containing them ɪά��ʵ���� 2004-04-28 CN disclosed
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed
CN-1277198-A New bicyclo aminopyrazineone compound, its producing process and medical composition containing them ADIR (FR) 2000-12-20 CN disclosed