SCHEMBL6982495

SCHEMBL6982495

CC(C)N1Cc2ccc(S(C)(=O)=O)cc2N(CCCl)S1(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.32
TMEM97 Q5BJF2 4/20 0.32
SIGMAR1 Q99720 4/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
PNMT P11086 4/20 0.31
SLC6A9 P48067 2/20 0.30
MEN1 O00255 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
XIAP P98170 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
SCHEMBL6500053 0.91 KCNH2 (0.32) KCNH2TMEM97SIGMAR1PRMT5WDR77
SCHEMBL8316061 0.82 CRY1 (0.35) KCNH2TMEM97SIGMAR1
SCHEMBL6984303 0.81 BRD4 (0.32) PNMTMEN1
SCHEMBL6985168 0.80 HTR2A (0.40)
SCHEMBL8318057 0.80 KDM4E (0.39)
SCHEMBL6527029 0.74 BRD4 (0.33) KCNH2TMEM97SIGMAR1PRMT5WDR77
SCHEMBL7081764 0.74
SCHEMBL8316696 0.72 SLC6A2 (0.38)
SCHEMBL6984197 0.71 KDM4E (0.41) PRMT5WDR77MEN1
SCHEMBL8317987 0.71 ADRA2A (0.36) KCNH2

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
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed