SCHEMBL6049488

SCHEMBL6049488

Cc1nc(N2CCN(C)CC2)nc(N)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.54
HTR3A P46098 2/20 0.54
KMT2A Q03164 1/20 0.51
HTR6 P50406 7/20 0.51
DRD2 P14416 6/20 0.51
HTR7 P34969 6/20 0.51
HTR2A P28223 5/20 0.51
KCNK2 O95069 1/20 0.49
SCN2A Q99250 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7278805 0.89 KCNK2 (0.53) HRH4HTR3AKMT2AHTR6DRD2
SCHEMBL7273434 0.85 PIK3CA (0.48) KMT2A
SCHEMBL134764 0.82 KCNK2 (0.67) HRH4HTR3AKMT2AHTR6DRD2
SCHEMBL7273354 0.82 HRH4 (0.50) HRH4HTR3AKMT2AHTR6DRD2
SCHEMBL7278942 0.80 HTR6 (0.48) HRH4HTR3AKMT2AHTR6DRD2
SCHEMBL7165985 0.78 HRH4 (0.50) HRH4HTR3AKMT2AHTR6HRH3
SCHEMBL7272345 0.77 KCNK2 (0.71) HRH4HTR3AKMT2AHTR6DRD2
SCHEMBL6049569 0.72 DHFR (0.46) KMT2AHTR2A
SCHEMBL26037956 0.71 HRH4 (0.61) HRH4HTR3AKMT2A
SCHEMBL604257 0.70 HRH4 (1.00) HRH4HTR3A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712276-A TREATING NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1998-01-27 US claimed
US-5684005-A PHENYLPYRIMIDINE COMPOUNDS AS INHIBITORS OF EXCITATORY AMINO ACID GLUTAMATE GLAXO WELLCOME INC. (US) 1997-11-04 US claimed
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP claimed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP claimed
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP disclosed
EP-1325916-A1 Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system THE WELLCOME FOUNDATION LIMITED (GB) 2003-07-09 EP disclosed
CN-1066719-C Process for preparing compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 2001-06-06 CN disclosed
US-5712276-A TREATING NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1998-01-27 US disclosed
US-5684005-A PHENYLPYRIMIDINE COMPOUNDS AS INHIBITORS OF EXCITATORY AMINO ACID GLUTAMATE GLAXO WELLCOME INC. (US) 1997-11-04 US disclosed
US-5635507-A PIPERAZINYL PHENYLPYRIMIDINE COMPOUND TREATING BRAIN DISORDER GLAXO WELLCOME INC. (US) 1997-06-03 US disclosed
US-5597828-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS CEREBRAL ISCHEMIC DAMAGE AND EPILEPSY GLAXO WELLCOME INC. (US) 1997-01-28 US disclosed
US-5597827-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTIISCHEMIC AGENTS GLAXO WELLCOME INC. 1997-01-28 US disclosed
EP-0727214-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
CN-1117046-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-02-21 CN disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
CN-1052306-A Compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 1991-06-19 CN disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed