SCHEMBL7489563

SCHEMBL7489563

Cn1ncc(OCCCCN2CCN(c3ccc(C#N)cc3)CC2)nc1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HTR7 P34969 3/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL7485995 0.78 HTR1A (0.54) HRH3HRH1HTR7DRD2DRD3
SCHEMBL7488037 0.78 HTR1A (0.53) HRH3HRH1HTR7DRD2DRD3
SCHEMBL7491899 0.77 HTR1A (0.54) DRD2HTR1A
SCHEMBL1714405 0.76 HRH3 (0.74) HRH3HRH1DRD2DRD3HTR1A
SCHEMBL7483822 0.76 HRH3 (0.42) HRH3HRH1HTR7DRD2HTR1A
SCHEMBL14761486 0.76 DRD2 (0.60) HRH1HTR7DRD2DRD3HTR1A
SCHEMBL7484406 0.76 HRH3 (0.42) HRH3DRD2DRD3HTR1A
SCHEMBL6135057 0.75 HRH3 (0.57) HRH3HRH1HTR7DRD2DRD3
SCHEMBL6135382 0.75 HRH3 (0.57) HRH3HRH1HTR7DRD2DRD3
SCHEMBL6135083 0.75 HRH3 (0.57) HRH3HRH1HTR7DRD2DRD3

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
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP claimed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US claimed
EP-1023287-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 — — EP claimed
WO-1999020622-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 — — WO claimed
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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