SCHEMBL19634475

SCHEMBL19634475

CN1CCN(C(=O)CCCI)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
GNAI3 P08754 4/20 0.46
GNAI1 P63096 4/20 0.46
GNAO1 P09471 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 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
SCHEMBL6043354 0.86 ATM (0.50) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL6043595 0.84 GNAI3 (0.50) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL2732315 0.82 ATM (0.50) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL11240 0.82 L3MBTL1 (0.62) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL6044015 0.81 TDP1 (0.50) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL6043600 0.80 GNAI3 (0.50) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL10972319 0.80 KMT2A (0.51) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL6043670 0.80 ATM (0.48) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL5605136 0.80 ATM (0.54) ATMGNAI3GNAI1GNAO1L3MBTL1
SCHEMBL1302299 0.80 SIGMAR1 (0.51) ATMGNAI3GNAI1GNAO1L3MBTL1

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed