SCHEMBL22702138

SCHEMBL22702138

CCCN1CC[C@@H](N/C=C(/C)N)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
PABPC1 P11940 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.33
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL22702029 0.80 SMN1; SMN2 (0.46) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL172647 0.77 ADH1B (0.40) EPHX1EPHX2L3MBTL1DRD2DRD3
SCHEMBL6980363 0.72 LTA4H (0.50) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL172561 0.72 LTA4H (0.50) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL13102170 0.72 LTA4H (0.50) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL13874921 0.72 HRH2 (0.43) EPHX1EPHX2L3MBTL1DRD2DRD3
SCHEMBL16380998 0.72 HRH2 (0.43) EPHX1EPHX2L3MBTL1DRD2DRD3
SCHEMBL12995614 0.72 HRH2 (0.43) EPHX1EPHX2L3MBTL1DRD2DRD3
SCHEMBL13198822 0.71 PABPC1 (0.41) EPHX1EPHX2L3MBTL1DRD2DRD3
SCHEMBL24753539 0.69 DRD2 (0.40) EPHX1EPHX2L3MBTL1DRD2DRD3

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
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed