SCHEMBL7495396

SCHEMBL7495396

COc1ccnc(N2CCN(CCCCO)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HRH3 Q9Y5N1 6/20 0.45
▸ ACHE P22303 3/20 0.45
▸ OGA O60502 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL7489291 0.83 SORD (0.49) HTR1ADRD3HTR2AHRH3ACHE
SCHEMBL30229927 0.80 KDM4E (0.50) HTR1ADRD3HTR2AHRH3ACHE
SCHEMBL7490520 0.80 ACHE (0.47) HTR1ADRD3HTR2AHRH3ACHE
SCHEMBL28019839 0.79 OGA (0.51) HRH3ACHEOGA
SCHEMBL30230144 0.79 OGA (0.51) HRH3ACHEOGA
SCHEMBL8402918 0.78 HTR1A (0.71) HTR1ADRD3HTR2AHTR2CDRD2
SCHEMBL7488440 0.77 HTR1A (0.58) HTR1ADRD3HTR2AHRH3DRD2
Fumaric Acid SCHEMBL7488578 0.76 HRH3 (0.41) HTR1ADRD3HTR2AHTR2CHRH3
Fumaric Acid SCHEMBL7488585 0.76 HRH3 (0.41) HTR1ADRD3HTR2AHTR2CHRH3
SCHEMBL7486478 0.76 SIGMAR1 (0.48) HTR1AHRH3DRD2

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 2 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 disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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