SCHEMBL6981484

SCHEMBL6981484

Nc1nc(N)nc(C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
DRD4 P21917 6/20 0.58
DRD3 P35462 6/20 0.58
ACHE P22303 3/20 0.53
HRH3 Q9Y5N1 1/20 0.52
CCR3 P51677 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BCHE P06276 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
DCPS Q96C86 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BACE1 P56817 1/20 0.48
PTPRF P10586 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRA P18433 1/20 0.47
PTPN11 Q06124 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2710149 0.80 ACHE (0.57) DRD2DRD4DRD3ACHECCR3
SCHEMBL6980499 0.78 DRD2 (0.67) DRD2DRD4DRD3ACHEHRH3
SCHEMBL6975763 0.78 DRD2 (0.86) DRD2DRD4DRD3ACHEHRH3
SCHEMBL73760 0.76 HRH3 (0.53) DRD2DRD4DRD3ACHEHRH3
SCHEMBL12068366 0.76 ACHE (0.57) DRD2DRD4DRD3ACHECCR3
SCHEMBL1002852 0.75 MEN1 (0.81) DRD2DRD4DRD3ACHECCR3
SCHEMBL2588250 0.75 MEN1 (0.65) DRD2DRD4DRD3ACHECCR3
SCHEMBL6045689 0.75 MEN1 (0.62) DRD2DRD4DRD3ACHECCR3
Hydrochloric Acid SCHEMBL2591103 0.74 MEN1 (0.63) DRD2DRD4DRD3ACHECCR3
SCHEMBL5633507 0.74 ACHE (0.54) DRD2DRD4DRD3ACHECCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP claimed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US claimed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US claimed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP claimed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed