SCHEMBL4785362

SCHEMBL4785362

CN1CCN(c2nc(N)nc(-c3ccccc3)c2CCO)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.55
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HTR3A P46098 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL4735759 0.90 HRH4 (0.57) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL27738433 0.83 HRH4 (0.62) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL4785364 0.78 HRH4 (0.54) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL4738394 0.76 HRH4 (0.54) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL11380832 0.74 HRH4 (0.53) HRH4HTR3A
SCHEMBL2167151 0.72 HRH4 (0.61) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL2165268 0.71 HRH4 (0.59) HRH4HRH3ADORA2AADORA1
SCHEMBL1032481 0.71 HRH4 (1.00) HRH4HRH2HRH1HRH3HTR3A
SCHEMBL13125713 0.70 HRH4 (1.00) HRH4HTR3A
SCHEMBL30463625 0.69 DHFR (0.56) HRH4HRH3HTR3AADORA2AADORA1

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
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