Sugi Predict

Sugi Predict / Compounds / SCHEMBL5319682

SCHEMBL5319682

SCHEMBL5319682

CN1CCCN(CCOc2ccc3c(c2)CCC3N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.54
▸ MAOB P27338 1/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5339292 0.92 HRH3 (0.57) HRH3MAOBKCNH2
SCHEMBL5320367 0.92 HRH3 (0.57) HRH3MAOBKCNH2
SCHEMBL5348156 0.92 HRH3 (0.57) HRH3MAOBKCNH2
SCHEMBL5366527 0.87 HRH3 (0.54) HRH3MAOBSLC6A4
SCHEMBL5318727 0.86 HRH3 (0.56) HRH3MAOBSLC6A4
SCHEMBL5324899 0.86 HRH3 (0.62) HRH3MAOBKCNH2SLC6A4
SCHEMBL5327795 0.86 HRH3 (0.62) HRH3MAOBKCNH2SLC6A4
SCHEMBL5416020 0.85 HRH3 (0.48) HRH3MAOBSLC6A4
SCHEMBL5321011 0.85 KDM4E (0.51) HRH3MAOBSLC6A4KDM4EALDH1A1
SCHEMBL5325115 0.84 HRH3 (0.49) HRH3MAOBKCNH2SLC6A4

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-2007099423-A1 1-PYRROLIDINE INDANE DERIVATIVES AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-09-07 — — WO claimed
WO-2007099423-A1 1-PYRROLIDINE INDANE DERIVATIVES AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-09-07 — — WO disclosed