SCHEMBL6975709

SCHEMBL6975709

CC(C)N1Cc2ccc(S(C)(=O)=O)cc2NS1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.38
SLC6A9 P48067 9/20 0.35
GFER P55789 1/20 0.34
KCNH2 Q12809 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
KDM1A O60341 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL6490566 0.89 PNMT (0.38) PNMTSLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL6492438 0.76 BRD4 (0.38) PNMT
SCHEMBL8317800 0.71 RYR2 (0.42)
SCHEMBL8318662 0.70 DPP8 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL6982495 0.68 KCNH2 (0.32) PNMTSLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL6500053 0.65 KCNH2 (0.32) PNMTSLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL6527029 0.65 BRD4 (0.33) PNMTSLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL6527031 0.65 ALDH1A1 (0.38) SLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL8315757 0.63 CA12 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL6527027 0.63 KCNH2 (0.34) PNMTSLC6A9KCNH2TMEM97SIGMAR1

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