SCHEMBL28565386

SCHEMBL28565386

c1ccc(CCCOCN2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.64
HRH3 Q9Y5N1 7/20 0.54
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
LTA4H P09960 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 2/20 0.43
IDO1 P14902 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL28558914 0.86 SIGMAR1 (0.77) SIGMAR1HRH3LTA4HMEN1KMT2A
SCHEMBL5788869 0.80 SIGMAR1 (0.59) SIGMAR1LTA4HMEN1KMT2AALDH1A1
SCHEMBL10677264 0.78 SIGMAR1 (1.00) SIGMAR1LTA4H
SCHEMBL457139 0.78 SIGMAR1 (1.00) SIGMAR1LTA4H
Hydrochloric Acid SCHEMBL7554612 0.77 SIGMAR1 (0.96) SIGMAR1LTA4H
SCHEMBL20676401 0.77 SIGMAR1 (0.96) SIGMAR1LTA4H
SCHEMBL3251614 0.77 SIGMAR1 (0.90) SIGMAR1MEN1KMT2A
SCHEMBL11100043 0.76 SIGMAR1 (0.71) SIGMAR1HRH3LTA4HMEN1KMT2A
SCHEMBL16497640 0.75 SIGMAR1 (0.61) SIGMAR1HRH3DRD2HTR2AHTR2C
SCHEMBL41969 0.74 SIGMAR1 (0.79) SIGMAR1DRD2LTA4HSLC6A4SLC6A3

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
CN-109928402-B Preparation method of SAPO-34 molecular sieve, acid catalyst and catalyst for reaction for preparing olefin by converting oxygen-containing compound 中国科学院大连化学物理研究所 2021-05-25 CN claimed
CN-109928402-B Preparation method of SAPO-34 molecular sieve, acid catalyst and catalyst for reaction for preparing olefin by converting oxygen-containing compound 中国科学院大连化学物理研究所 2021-05-25 CN disclosed