SCHEMBL3823645

SCHEMBL3823645

CNCCC(c1ccccc1)c1cc2cccnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ GCK P35557 11/20 0.49
▸ HTR1B P28222 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ SLC6A4 P31645 4/20 0.47
▸ SLC6A2 P23975 4/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ CYP2D6 P10635 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL2071266 0.81 HTR2A (0.57) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL8533233 0.80 GCK (0.47) GCKRIPK1
SCHEMBL2074077 0.76 HTR2A (0.51) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL2075092 0.76 HTR2A (0.51) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL2074606 0.74 HTR2A (0.49) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL2073654 0.74 SLC6A4 (0.48) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL29383013 0.74 HRH1 (0.65) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL2074684 0.73 SLC6A4 (0.50) HTR2AHRH1HTR1BMTORSLC6A4
SCHEMBL8135643 0.72 RIPK1 (0.47) GCKRIPK1
SCHEMBL2981817 0.72 DAO (0.49) GCKRIPK1

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-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 — — EP claimed
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