SCHEMBL7981945

SCHEMBL7981945

CC(C)(C)OC(=O)N1CCC(CCCNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 13/20 0.42
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7987167 0.95 KDM4E (0.45) KDM4EPKMGPR119NAMPTLMNA
SCHEMBL7981738 0.91 KDM4E (0.55) KDM4EPKMNAMPTLMNATP53
SCHEMBL7989610 0.86 ACKR3 (0.50) LMNATP53
SCHEMBL7989896 0.85 ACKR3 (0.49) LMNATP53
SCHEMBL7984557 0.83 ACKR3 (0.40) NAMPTLMNATP53
SCHEMBL7983268 0.82 LIMK2 (0.47) KDM4EPKMGPR119
Hydrochloric Acid SCHEMBL7982284 0.82 NAMPT (0.42) NAMPTFAAH
SCHEMBL7983299 0.81 NAMPT (0.39) KDM4EPKMGPR119NAMPTLMNA
SCHEMBL7990681 0.80 CHRM4 (0.43) LMNA
Hydrochloric Acid SCHEMBL7989624 0.80 CHRM4 (0.42) LMNA

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed