SCHEMBL7488037

SCHEMBL7488037

Cn1ncc(OCCCCCN2CCN(c3ncccn3)CC2)nc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.53
▸ HRH3 Q9Y5N1 5/20 0.51
▸ DRD2 P14416 3/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ MAOB P27338 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ SLC22A2 O15244 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ ADRA1B P35368 1/20 0.47

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 0.99 HTR1A (0.54) HTR1AHRH3DRD2HTR2AMAOB
SCHEMBL7491899 0.88 HTR1A (0.54) HTR1ADRD2CYP1A2CYP2C9SIGMAR1
Fumaric Acid SCHEMBL7488720 0.87 HRH3 (0.49) HTR1AHRH3DRD2HTR2AMAOB
Fumaric Acid SCHEMBL7488718 0.87 HRH3 (0.49) HTR1AHRH3DRD2HTR2AMAOB
SCHEMBL7483822 0.87 HRH3 (0.42) HTR1AHRH3DRD2HTR2AMAOB
SCHEMBL7484406 0.86 HRH3 (0.42) HTR1AHRH3DRD2HTR2AMAOB
SCHEMBL7488133 0.81 HTR1A (0.50) HTR1AHRH3ALDH1A1HTR7DRD3
Fumaric Acid SCHEMBL7489724 0.81 HRH3 (0.42) HTR1AHRH3DRD2MAOBDRD3
Fumaric Acid SCHEMBL7490162 0.81 HRH3 (0.42) HTR1AHRH3DRD2MAOBDRD3
Fumaric Acid SCHEMBL7488585 0.80 HRH3 (0.41) HTR1AHRH3DRD2HTR2AMAOB

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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