SCHEMBL18633490

SCHEMBL18633490

COC1=C(C(=O)c2ncc(Cc3ccc(F)c(C)c3)s2)CN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.37
RIPK1 Q13546 6/20 0.34
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
MMP13 P45452 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
SCHEMBL754618 0.88 LIPG (0.41) RIPK1LMNALIPG
SCHEMBL2489691 0.76 NPSR1 (0.40) SCDRIPK1LMNAMAPT
SCHEMBL751203 0.74 LIPG (0.50) RIPK1LMNALIPG
SCHEMBL14259598 0.68 LIPG (0.41) LIPG
SCHEMBL752989 0.64 SMN1; SMN2 (0.42) RIPK1LMNALIPG
SCHEMBL17922015 0.64 DRD4 (0.31)
SCHEMBL753281 0.64 LIPG (0.44) LMNALIPG
SCHEMBL14259546 0.64 KMT2A (0.40) LMNAMAPT
SCHEMBL754262 0.62 LIPG (0.41) LIPG
SCHEMBL16921567 0.60 HSD17B2 (0.38) LMNAMAPTLIPG

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed