SCHEMBL18474160

SCHEMBL18474160

NC(=O)C1CCCN1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SPHK1 Q9NYA1 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACE P12821 1/20 0.40
AR P10275 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL18474217 1.00 DPP4 (0.45) DPP4CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL27827757 0.91 KMT2A (0.43) DPP4CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL18849795 0.88 ALDH1A1 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL18474161 0.88 ALDH1A1 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL23746785 0.88 ALDH1A1 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL20253880 0.84 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL25967749 0.83 KMT2A (0.50) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL18474216 0.82 CHRNA7 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4POLB
SCHEMBL27945266 0.82 CHRNA7 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4POLB
SCHEMBL8787587 0.79 SPHK1 (0.46) DPP4SPHK1SPHK2POLBMEN1

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-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 WO disclosed