SCHEMBL7003542

SCHEMBL7003542

CNC1c2ccccc2Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.57
HRH1 P35367 11/20 0.57
PDPK1 O15530 1/20 0.48
HTR2C P28335 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6998985 0.86 PDPK1 (0.59) HTR2AHRH1PDPK1HTR2C
Hydrochloric Acid SCHEMBL6718185 0.84 PDPK1 (0.57) HTR2AHRH1PDPK1HTR2C
SCHEMBL21259170 0.83 PDPK1 (0.55) HTR2AHRH1PDPK1
SCHEMBL21259158 0.81 PDPK1 (0.44) HTR2AHRH1PDPK1HTR2C
SCHEMBL6997518 0.80 HTR2A (0.44) HTR2AHRH1PDPK1HTR2CHDAC4
SCHEMBL20749590 0.74 PDPK1 (0.50) HTR2AHRH1PDPK1HTR2C
SCHEMBL6998428 0.73 KMT2A (0.50) HTR2APDPK1HDAC4HDAC7HDAC5
SCHEMBL9633656 0.73 HTR2A (0.58) HTR2AHRH1HTR2CHDAC4HDAC7
Dimethylamine SCHEMBL7194670 0.72 DRD2 (0.52) HTR2AHRH1PDPK1DRD2DRD4
Hydrochloric Acid SCHEMBL3895431 0.71 KMT2A (0.48) HTR2AHDAC4HDAC7HDAC5

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
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
CN-1277198-A New bicyclo aminopyrazineone compound, its producing process and medical composition containing them ADIR (FR) 2000-12-20 CN disclosed