Sugi Predict

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SCHEMBL4046528

SCHEMBL4046528

CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CN(C(=O)NC(=O)c2ccccc2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OCCCN5CCCC5C)cc4)sc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.45
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL3584986 0.90 HRH3 (0.52) HRH3NPC1RAB9A
SCHEMBL3575387 0.88 HRH3 (0.50) HRH3KCNH2
SCHEMBL3575679 0.84 HRH3 (0.51) HRH3KCNH2
SCHEMBL3579817 0.81 HRH3 (0.57) HRH3NPC1RAB9AKCNH2
SCHEMBL3582456 0.81 HRH3 (0.53) HRH3NPC1RAB9A
SCHEMBL3584805 0.80 HRH3 (0.52) HRH3NPC1RAB9AKCNH2
SCHEMBL4047116 0.79 HRH3 (0.59) HRH3NPC1RAB9AKCNH2
SCHEMBL3589140 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL3579676 0.79 HRH3 (0.55) HRH3KCNH2
SCHEMBL3581861 0.79 HRH3 (0.55) HRH3KCNH2

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
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 — — EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 — — WO disclosed