Sugi Predict

Sugi Predict / Compounds / SCHEMBL5324899

SCHEMBL5324899

SCHEMBL5324899

c1cc2c(cc1OCCCN1CCCCC1)CCC2N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.62
▸ MAOB P27338 1/20 0.62
▸ HRH1 P35367 2/20 0.58
▸ KCNH2 Q12809 1/20 0.56
▸ SLC6A4 P31645 3/20 0.56

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
SCHEMBL5327795 1.00 HRH3 (0.62) HRH3MAOBHRH1KCNH2SLC6A4
SCHEMBL5339292 0.94 HRH3 (0.57) HRH3MAOBHRH1KCNH2
SCHEMBL5320367 0.94 HRH3 (0.57) HRH3MAOBHRH1KCNH2
SCHEMBL5348156 0.94 HRH3 (0.57) HRH3MAOBHRH1KCNH2
SCHEMBL5325118 0.90 HRH3 (0.62) HRH3MAOBHRH1SLC6A4
SCHEMBL5318727 0.88 HRH3 (0.56) HRH3MAOBSLC6A4
SCHEMBL10610658 0.86 HRH3 (0.47) HRH3MAOBKCNH2SLC6A4
SCHEMBL5366527 0.86 HRH3 (0.54) HRH3MAOBSLC6A4
SCHEMBL5319682 0.86 HRH3 (0.54) HRH3MAOBKCNH2SLC6A4
SCHEMBL5325115 0.86 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