SCHEMBL28012222

SCHEMBL28012222

CN1CCN(c2cccc3cnc(N)nc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.51
ADRA2C P18825 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HTR3A P46098 3/20 0.47
HTR2A P28223 2/20 0.46
HTR6 P50406 2/20 0.46
DHFR P00374 3/20 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
SCHEMBL28070389 0.79 HRH4 (0.52) HRH4ADRA2CDHFR
SCHEMBL28120724 0.77 DHFR (0.52) HRH4ADRA2CDHFR
SCHEMBL28324074 0.74 DHFR (0.65) HRH4DHFR
SCHEMBL13769597 0.74 HTR3A (0.54) HRH4ADRA2CHRH3HTR3AHTR2A
SCHEMBL2197477 0.72 HTR6 (0.56) HRH4ADRA2CHTR3AHTR2AHTR6
SCHEMBL30463625 0.72 DHFR (0.56) HRH4ADRA2CHRH3HTR3ADHFR
SCHEMBL2197147 0.72 HTR6 (0.56) HRH4ADRA2CHTR3AHTR2AHTR6
SCHEMBL28311804 0.71 ADRA2C (0.53) HRH4ADRA2CHRH3HTR3AHTR6
SCHEMBL12932459 0.71 HTR2A (0.60) HRH4HRH3HTR2AHTR6
SCHEMBL29414481 0.70 PIK3CD (0.49) HRH4ADRA2CHRH3DHFR

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
CN-104582703-A H4 receptor inhibitors for treating tinnitus SENSORION 2015-04-29 CN disclosed