SCHEMBL899197

SCHEMBL899197

CCC(CN)Nc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.54
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.46
IDO1 P14902 1/20 0.44
HTT P42858 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NCF1 P14598 1/20 0.41
RIPK2 O43353 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MITF O75030 1/20 0.41
RAD52 P43351 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAK O14976 1/20 0.40
COQ8A Q8NI60 1/20 0.40

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
SCHEMBL899207 0.79 FERMT2 (0.54) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL15912060 0.76 HTR1A (0.58) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL16585552 0.75 HTR1A (0.61) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6223282 0.73 HTR1A (0.73) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL20856477 0.72 HTR1A (0.54) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28220042 0.72 HTR1A (0.47) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL30307409 0.71 GALR3 (0.59) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7504534 0.71 HTR1A (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL30307423 0.70 HTR1A (0.54) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4142709 0.70 HTR1A (0.80) FERMT2HTR1AADRA1DADRA1AADRA1B

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-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed