SCHEMBL7491899

SCHEMBL7491899

Cn1ncc(OCCCCN2CCN(c3ncc(F)cn3)CC2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.54
▸ SIGMAR1 Q99720 8/20 0.53
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DRD2 P14416 1/20 0.45

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 0.89 HTR1A (0.54) HTR1ASIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL7483822 0.88 HRH3 (0.42) HTR1ASIGMAR1DRD2
SCHEMBL7488037 0.88 HTR1A (0.53) HTR1ASIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL7484406 0.81 HRH3 (0.42) HTR1ADRD2
Fumaric Acid SCHEMBL7488720 0.78 HRH3 (0.49) HTR1ADRD2
Fumaric Acid SCHEMBL7488718 0.78 HRH3 (0.49) HTR1ADRD2
Fumaric Acid SCHEMBL7492264 0.78 HRH3 (0.38) HTR1AKDM4E
Fumaric Acid SCHEMBL7492260 0.78 HRH3 (0.38) HTR1AKDM4E
SCHEMBL14761486 0.77 DRD2 (0.60) HTR1ASIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL7489563 0.77 HRH3 (0.49) HTR1ADRD2

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-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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