SCHEMBL6586789

SCHEMBL6586789

COc1nsnc1N1CCN(C[C@H](N)Cc2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.61
DRD4 P21917 3/20 0.61
DRD3 P35462 3/20 0.61
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM4 P08173 2/20 0.36
DRD2 P14416 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL6069916 0.78 DRD2 (0.55) DRD4DRD3KMT2AMAPK1DRD2
SCHEMBL6070129 0.78 DRD2 (0.55) DRD4DRD3KMT2AMAPK1DRD2
SCHEMBL24879163 0.76 CHRM1 (0.51) KDM4EDPP4HRH4ALDH1A1CHRM1
SCHEMBL6586733 0.74 HTR1A (0.61) HTR1ADRD4DRD3KDM4EKMT2A
SCHEMBL6588617 0.74 HTR1A (0.61) HTR1ADRD4DRD3KDM4EKMT2A
SCHEMBL6586728 0.73 HTR1A (0.66) HTR1ADRD4DRD3KDM4EKMT2A
SCHEMBL27456394 0.72 DPP4 (0.43) KDM4EDPP4ALDH1A1TDP1CHRM1
SCHEMBL6586359 0.71 HTR1A (0.58) HTR1ADRD4DRD3KDM4EALDH1A1
SCHEMBL6178229 0.70 MEN1 (0.55) HTR1ADRD4KMT2AMAPK1CHRM4
SCHEMBL6070304 0.70 HTR1A (0.51) HTR1ADRD4DRD3DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161424-B1 NEW DIAZOLE DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-06-02 EP claimed