SCHEMBL4738394

SCHEMBL4738394

CN1CCN(c2nc(N)nc(-c3ccccc3)c2C=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
POLB P06746 2/20 0.52
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
HTR3A P46098 1/20 0.49
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL27738433 0.84 HRH4 (0.62) HRH4POLBHRH2HRH1HRH3
SCHEMBL11358141 0.81 HRH4 (0.53) HRH4POLBHTR3AMAPTHTT
SCHEMBL4735759 0.78 HRH4 (0.57) HRH4HRH2HRH1HRH3ADORA2A
SCHEMBL4738724 0.76 LMNA (0.72) HRH4POLB
SCHEMBL4785364 0.76 HRH4 (0.54) HRH4POLBHRH2HRH1HRH3
SCHEMBL4785362 0.76 HRH4 (0.55) HRH4HRH2HRH1HRH3ADORA2A
SCHEMBL2165268 0.72 HRH4 (0.59) HRH4POLBHRH3ADORA2AADORA1
SCHEMBL11349340 0.72 HRH4 (0.49) HRH4POLBHTR3AMAPTHTT
SCHEMBL13125713 0.71 HRH4 (1.00) HRH4HTR3A
SCHEMBL2167151 0.70 HRH4 (0.61) HRH4HRH2HRH1HRH3HTR3A

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
WO-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO claimed
WO-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO disclosed