SCHEMBL7716601

SCHEMBL7716601

Cc1cc(Cl)ccc1Oc1cnc(N)nc1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.55
HTR6 P50406 3/20 0.55
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
HRH4 Q9H3N8 11/20 0.50
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL7712440 0.90 HTR7 (0.54) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL7712407 0.87 HTR1A (0.46) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL7708416 0.83 HRH4 (0.55) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL7714283 0.77 HRH4 (0.57) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL7708465 0.76 HTR7 (0.43) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL2166858 0.75 HRH4 (0.67) HRH4SMN1; SMN2
SCHEMBL7708476 0.75 ROCK2 (0.40) HTR7HTR6HTR1ADRD2HRH4
SCHEMBL7714135 0.74 PDE5A (0.41) HTR7HTR6HTR1ADRD2LMNA
SCHEMBL2166254 0.73 HRH4 (0.73) HRH4
SCHEMBL7712410 0.72 HRH4 (0.52) HTR7HTR6HTR1ADRD2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US claimed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP disclosed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO disclosed