SCHEMBL7488133

SCHEMBL7488133

O=c1nc(OCCCCN2CCN(c3ncccn3)CC2)cnn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.50
▸ HTR7 P34969 1/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ ABCB1 P08183 1/20 0.44

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 0.82 HTR1A (0.54) HTR1AHTR7HRH3ALDH1A1DRD3
SCHEMBL7488037 0.81 HTR1A (0.53) HTR1AHTR7HRH3ALDH1A1DRD3
Fumaric Acid SCHEMBL7487370 0.80 HTR1A (0.48) HTR1AHRH3DRD3
Fumaric Acid SCHEMBL7489484 0.80 HTR1A (0.48) HTR1AHRH3DRD3
SCHEMBL7484406 0.75 HRH3 (0.42) HTR1AHRH3DRD3
Fumaric Acid SCHEMBL7488720 0.74 HRH3 (0.49) HTR1AHRH3DRD3
Fumaric Acid SCHEMBL7488718 0.74 HRH3 (0.49) HTR1AHRH3DRD3
SCHEMBL7491899 0.72 HTR1A (0.54) HTR1A
SCHEMBL7484572 0.71 HRH3 (0.48) HTR1AHTR7HRH3ABCB1
Hydrochloric Acid SCHEMBL10561281 0.71 HTR1A (0.61) HTR1AHTR7ALDH1A1TSHRDRD3

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 8 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
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 disclosed
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 disclosed
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