SCHEMBL7703566

SCHEMBL7703566

N#Cc1ccc(C[N]Cc2cnc[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.68
CYP19A1 P11511 8/20 0.52
HRH4 Q9H3N8 1/20 0.45
TAAR1 Q96RJ0 2/20 0.42

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
SCHEMBL7924408 0.81 HRH3 (1.00) HRH3CYP19A1HRH4TAAR1
SCHEMBL7468703 0.80 HRH3 (0.73) HRH3CYP19A1HRH4TAAR1
SCHEMBL7939173 0.70 HRH3 (0.58) HRH3CYP19A1
Bromide SCHEMBL7939566 0.69 HRH3 (0.57) HRH3CYP19A1
SCHEMBL7468695 0.68 HRH3 (0.60) HRH3CYP19A1
SCHEMBL7703563 0.67 HRH3 (0.55) HRH3CYP19A1
SCHEMBL7703567 0.67 HRH3 (0.55) HRH3CYP19A1HRH4
Hydrochloric Acid SCHEMBL7474426 0.66 HRH3 (0.54) HRH3CYP19A1
SCHEMBL7505800 0.66 HRH3 (0.54) HRH3CYP19A1
SCHEMBL4405648 0.65 IDO1 (0.65) HRH3CYP19A1

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-2002057223-A2 COMPOUNDS AZEPANE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS LES LABORATOIRES SERVIER (FR) 2002-07-25 WO claimed