SCHEMBL3633504

SCHEMBL3633504

[CH2]CCCOc1ccc(-c2nc(CN3CCCC3C)co2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.57
KCNH2 Q12809 3/20 0.46
HTR3A P46098 3/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL3080286 0.92 HRH3 (0.62) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3076333 0.91 HRH3 (0.58) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3070775 0.90 HRH3 (0.62) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3073179 0.90 HRH3 (0.57) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3074257 0.90 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3072003 0.88 HRH3 (0.60) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3072967 0.88 HRH3 (0.76) HRH3KCNH2HRH2HRH1
SCHEMBL3066513 0.88 HRH3 (0.76) HRH3KCNH2HRH2HRH1
SCHEMBL3070184 0.87 HRH3 (0.65) HRH3KCNH2HRH2HRH1
SCHEMBL3083808 0.86 HRH3 (0.73) HRH3KCNH2HRH2HRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152669-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF Cephalon, Inc. (US) 2010-02-17 EP disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 WO disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 WO disclosed