SCHEMBL28015142

SCHEMBL28015142

CCCCCN1CCN(C(=O)OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.58
HRH1 P35367 6/20 0.58
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIGMAR1 Q99720 3/20 0.47
TMEM97 Q5BJF2 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
POLB P06746 1/20 0.46
ADORA3 P0DMS8 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
SCHEMBL14438075 0.92 ALDH1A1 (0.60) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL5540188 0.88 HRH2 (0.52) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL27629467 0.87 SIGMAR1 (0.56) HRH2HRH1KMT2ACYP2C19SIGMAR1
SCHEMBL27610695 0.86 HRH1 (0.53) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL28015689 0.86 HRH2 (0.48) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL5543682 0.85 HRH2 (0.50) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL5543676 0.85 HRH1 (0.50) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL27629720 0.84 SLC6A5 (0.51) HRH2HRH1HPGDSIGMAR1TMEM97
SCHEMBL5540967 0.84 HRH2 (0.51) HRH2HRH1ALDH1A1MAPTLMNA
SCHEMBL5540964 0.84 HRH1 (0.51) HRH2HRH1ALDH1A1MAPTLMNA

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed