SCHEMBL19634476

SCHEMBL19634476

CCCCCOCCN1CCN(CCOC)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.44
GNAO1 P09471 6/20 0.44
GNAI1 P63096 6/20 0.44
LTA4H P09960 1/20 0.44
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL23471324 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL21016223 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL19634651 0.94 GNAI3 (0.41) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL793522 0.90 GNAI3 (0.53) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL6553947 0.90 GNAI3 (0.53) GNAI3GNAO1GNAI1LTA4HMEN1
SCHEMBL21477156 0.89 GNAI3 (0.46) GNAI3GNAO1GNAI1LTA4HHRH3
SCHEMBL10960846 0.89 HRH3 (0.39) GNAI3GNAO1GNAI1ALDH1A1HRH3
SCHEMBL21106252 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HMEN1
SCHEMBL23471206 0.88 GNAI3 (0.57) GNAI3GNAO1GNAI1LTA4HHTR1A
Bromide SCHEMBL28255534 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1LTA4HMEN1

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-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed