SCHEMBL8317166

SCHEMBL8317166

CC(C)N1Cc2c(F)cccc2NS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
MMP13 P45452 1/20 0.35
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HTR5A P47898 1/20 0.31
OPRL1 P41146 2/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTPN2 P17706 1/20 0.31
NOTUM Q6P988 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL8315757 0.78 CA12 (0.36) KDM4ERECQLDPP8DPP9DPP7
SCHEMBL2603740 0.76 KDM4E (0.47) KDM4ERECQLOPRL1OPRM1KCNH2
SCHEMBL8318662 0.71 DPP8 (0.36) KDM4ERECQLDPP8DPP9DPP7
SCHEMBL22326637 0.67 HTR5A (0.38) MMP13HTR5ANOTUM
SCHEMBL31424385 0.67 HTR5A (0.38) MMP13HTR5ANOTUM
SCHEMBL21257762 0.65 HTT (0.46) KDM4ECDK5CDK5R1HTR5AOPRM1
SCHEMBL6490844 0.63 KDM4E (0.35) KDM4ERECQLHTR5A
SCHEMBL8314425 0.63 KDM4E (0.40) KDM4ERECQLDPP8DPP9DPP7
SCHEMBL14253616 0.63 MMP13 (0.38) KDM4ERECQLMMP13CDK5CDK5R1
SCHEMBL4614120 0.62 MMP13 (0.40) KDM4ERECQLMMP13CDK5CDK5R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed